smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000770770605 1078989639 /nfs/dbraw/zinc/98/96/39/1078989639.db2.gz NCCBXRSHJFGLBV-RTWAWAEBSA-N 2 0 401.555 2.193 20 0 HEADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943705 1079082277 /nfs/dbraw/zinc/08/22/77/1079082277.db2.gz ZUNYZPDLVRWMOD-LJQANCHMSA-N 2 0 405.539 2.003 20 0 HEADRP CN(C)c1nccc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)n1 ZINC001169128644 1079147743 /nfs/dbraw/zinc/14/77/43/1079147743.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 2 0 414.598 2.087 20 0 HEADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169313124 1079224856 /nfs/dbraw/zinc/22/48/56/1079224856.db2.gz KREHGBKYAOXFIN-QZTJIDSGSA-N 2 0 413.559 2.020 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)CO1 ZINC001169384530 1079255594 /nfs/dbraw/zinc/25/55/94/1079255594.db2.gz FWKMGXPFFBSUQH-HBMCJLEFSA-N 2 0 417.550 2.248 20 0 HEADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000771460123 1079333961 /nfs/dbraw/zinc/33/39/61/1079333961.db2.gz AUICEJNFOUXNNG-UHFFFAOYSA-N 2 0 416.566 2.422 20 0 HEADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCCN(C(=O)c3ccccc3)C1)CC2 ZINC001169772248 1079406483 /nfs/dbraw/zinc/40/64/83/1079406483.db2.gz RGGJYSTXQBYDRF-JOCHJYFZSA-N 2 0 422.573 2.115 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000738515888 1075998890 /nfs/dbraw/zinc/99/88/90/1075998890.db2.gz CNFYSWKPFVRAQM-RTWAWAEBSA-N 2 0 400.567 2.039 20 0 HEADRP COc1ccc(OC)c([C@H](O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000741805023 1076643887 /nfs/dbraw/zinc/64/38/87/1076643887.db2.gz FSHLZVLBSFUOQB-HXUWFJFHSA-N 2 0 421.582 2.153 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000743148000 1076977384 /nfs/dbraw/zinc/97/73/84/1076977384.db2.gz WHYXSEKORFABHK-LJQANCHMSA-N 2 0 405.543 2.200 20 0 HEADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[NH+]1CCC(C)CC1 ZINC000743413110 1077049081 /nfs/dbraw/zinc/04/90/81/1077049081.db2.gz AVFHTLBCZDEHKG-IBGZPJMESA-N 2 0 415.582 2.004 20 0 HEADRP CCOC(=O)c1c(NC(=O)C[NH2+][C@H](CO)C2CC2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000771817722 1079546194 /nfs/dbraw/zinc/54/61/94/1079546194.db2.gz IDZGMDAAAJMLPI-CQSZACIVSA-N 2 0 423.579 2.383 20 0 HEADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000768675169 1080710536 /nfs/dbraw/zinc/71/05/36/1080710536.db2.gz FLABWSMCNBJGNM-HSALFYBXSA-N 2 0 412.619 2.263 20 0 HEADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164431975 718970676 /nfs/dbraw/zinc/97/06/76/718970676.db2.gz DDLNQSCUFHKAHF-MOPGFXCFSA-N 2 0 412.456 2.199 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccnc3)c2)CC1 ZINC001164691418 719775208 /nfs/dbraw/zinc/77/52/08/719775208.db2.gz OOWOTHKQIYBYDQ-RTWAWAEBSA-N 2 0 407.518 2.329 20 0 HEADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164841715 720670474 /nfs/dbraw/zinc/67/04/74/720670474.db2.gz PRTMUDGMSRCJBI-OAQYLSRUSA-N 2 0 422.577 2.146 20 0 HEADRP C[C@H]1CCCN1C(=O)c1nn(-c2cc(OC3CC[NH+](C)CC3)ccn2)c2c1C[NH2+]CC2 ZINC001164851975 720806273 /nfs/dbraw/zinc/80/62/73/720806273.db2.gz MDBBTIMQMCAWBX-INIZCTEOSA-N 2 0 424.549 2.011 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)c2)CC1 ZINC001164758367 721010103 /nfs/dbraw/zinc/01/01/03/721010103.db2.gz IFXWFTFWUMEOKU-BDTNDASRSA-N 2 0 410.518 2.370 20 0 HEADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[NH2+]C4)C2)C1 ZINC001164775784 721337402 /nfs/dbraw/zinc/33/74/02/721337402.db2.gz AFCTWRWJZFLSPS-HSZRJFAPSA-N 2 0 411.550 2.451 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4nccn4C[C@@H](Cn4cccn4)C3)c2)CC1 ZINC001164895319 721487588 /nfs/dbraw/zinc/48/75/88/721487588.db2.gz LAVHMJTZEODZLR-GOSISDBHSA-N 2 0 407.522 2.284 20 0 HEADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164899643 721517999 /nfs/dbraw/zinc/51/79/99/721517999.db2.gz LLDKKVALOYPQLT-GDBMZVCRSA-N 2 0 403.889 2.257 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1ccnc1C ZINC000745734174 1078620544 /nfs/dbraw/zinc/62/05/44/1078620544.db2.gz KWLIPJKQHUVHDZ-FQEVSTJZSA-N 2 0 413.570 2.133 20 0 HEADRP CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000769921660 1078635998 /nfs/dbraw/zinc/63/59/98/1078635998.db2.gz ZUMBODCWDCXHKB-IBGZPJMESA-N 2 0 408.587 2.403 20 0 HEADRP COc1ccc(CN2CC[C@@H](N3CC[NH+](CC4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC001168952029 1079085199 /nfs/dbraw/zinc/08/51/99/1079085199.db2.gz BYBSBGVASNHXEV-JOCHJYFZSA-N 2 0 414.594 2.146 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CO[C@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093565 1079127034 /nfs/dbraw/zinc/12/70/34/1079127034.db2.gz IOBBDIMLKHETQT-MRSOFBGISA-N 2 0 409.571 2.244 20 0 HEADRP Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC001169133346 1079152131 /nfs/dbraw/zinc/15/21/31/1079152131.db2.gz DQNNWGMKMNQHNH-ACDBMABISA-N 2 0 409.582 2.145 20 0 HEADRP CN(C)C(=O)c1cc2c(nc1N(CC1CC1)[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC[NH2+]CC2 ZINC001169139462 1079156233 /nfs/dbraw/zinc/15/62/33/1079156233.db2.gz NCOYBHBPEOJHAS-ACDBMABISA-N 2 0 411.594 2.313 20 0 HEADRP C[N@H+]([C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C1CCC([NH3+])CC1 ZINC001170023567 1079221938 /nfs/dbraw/zinc/22/19/38/1079221938.db2.gz ZNUWHHNGIQVOAW-GQGLESIBSA-N 2 0 412.600 2.099 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169313123 1079224881 /nfs/dbraw/zinc/22/48/81/1079224881.db2.gz KREHGBKYAOXFIN-MSOLQXFVSA-N 2 0 413.559 2.020 20 0 HEADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001169433095 1079300917 /nfs/dbraw/zinc/30/09/17/1079300917.db2.gz RTUMXJYHBXVSLC-AZUAARDMSA-N 2 0 402.583 2.038 20 0 HEADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(NC(=O)C(C)(C)C)c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169562966 1079332064 /nfs/dbraw/zinc/33/20/64/1079332064.db2.gz NSMVNKXDFODAOY-PMPSAXMXSA-N 2 0 417.554 2.096 20 0 HEADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605617 1079343183 /nfs/dbraw/zinc/34/31/83/1079343183.db2.gz LCQWWGWHGFZKCI-YADHBBJMSA-N 2 0 400.567 2.395 20 0 HEADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C(C)(C)C(C)(C)[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170028342 1079378950 /nfs/dbraw/zinc/37/89/50/1079378950.db2.gz BCQOKXGCBCNKQM-KGLIPLIRSA-N 2 0 400.589 2.003 20 0 HEADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCCN(C(=O)c3ccccc3)C1)CC2 ZINC001169772251 1079406577 /nfs/dbraw/zinc/40/65/77/1079406577.db2.gz RGGJYSTXQBYDRF-QFIPXVFZSA-N 2 0 422.573 2.115 20 0 HEADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC2)C1 ZINC000738215385 1075974868 /nfs/dbraw/zinc/97/48/68/1075974868.db2.gz UOORFEOQPPCODB-MRXNPFEDSA-N 2 0 419.367 2.433 20 0 HEADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[N@H+](C)C1CC1 ZINC000739088056 1076042723 /nfs/dbraw/zinc/04/27/23/1076042723.db2.gz MHDNFJFOBNWXJA-KRWDZBQOSA-N 2 0 415.582 2.002 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000737464384 1076858929 /nfs/dbraw/zinc/85/89/29/1076858929.db2.gz YAYMBKQVIRSOEQ-IBGZPJMESA-N 2 0 419.639 2.108 20 0 HEADRP Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000743414037 1077049026 /nfs/dbraw/zinc/04/90/26/1077049026.db2.gz PVSMXNALKMGWAO-QFIPXVFZSA-N 2 0 423.561 2.104 20 0 HEADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000743593172 1077073887 /nfs/dbraw/zinc/07/38/87/1077073887.db2.gz ATNGQUWANOPCTN-YPAWHYETSA-N 2 0 400.567 2.403 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000745362814 1077814752 /nfs/dbraw/zinc/81/47/52/1077814752.db2.gz UAMCYKWAISBEDB-NRFANRHFSA-N 2 0 415.582 2.371 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767081516 1079653181 /nfs/dbraw/zinc/65/31/81/1079653181.db2.gz QQECFAHURKGQIK-ZDUSSCGKSA-N 2 0 409.383 2.425 20 0 HEADRP C[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000767836685 1080157943 /nfs/dbraw/zinc/15/79/43/1080157943.db2.gz LDRRQSMYMAUKSX-FCHUYYIVSA-N 2 0 415.582 2.328 20 0 HEADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCC2CCCCC2)CC[N@@H+]1C ZINC001109305014 1080588200 /nfs/dbraw/zinc/58/82/00/1080588200.db2.gz BTCQFHOQCCZJKX-JFHUYLGKSA-N 2 0 404.599 2.135 20 0 HEADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)nc1 ZINC000746594334 1080729251 /nfs/dbraw/zinc/72/92/51/1080729251.db2.gz APJLWHZHPNCURQ-UHFFFAOYSA-N 2 0 404.312 2.181 20 0 HEADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786825335 1080846417 /nfs/dbraw/zinc/84/64/17/1080846417.db2.gz CNELVEZHRQFALK-LJQANCHMSA-N 2 0 423.565 2.259 20 0 HEADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000769512146 1081103115 /nfs/dbraw/zinc/10/31/15/1081103115.db2.gz JJIKEQPNXCZDTK-QUCCMNQESA-N 2 0 412.619 2.264 20 0 HEADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000769512695 1081103508 /nfs/dbraw/zinc/10/35/08/1081103508.db2.gz QWVGFRIOALFSEU-VAMGGRTRSA-N 2 0 412.619 2.264 20 0 HEADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000769533793 1081113210 /nfs/dbraw/zinc/11/32/10/1081113210.db2.gz QAWJDMQHIQSRJJ-IBGZPJMESA-N 2 0 408.587 2.262 20 0 HEADRP CC(C)(C)C(=O)Nc1ccnc(N2CCC(F)(C[NH3+])CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164391654 718813008 /nfs/dbraw/zinc/81/30/08/718813008.db2.gz GVZCUFJHCVKVKW-MRXNPFEDSA-N 2 0 421.561 2.148 20 0 HEADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164434588 718971081 /nfs/dbraw/zinc/97/10/81/718971081.db2.gz UFCAIWGDUPNRIT-RTBURBONSA-N 2 0 412.456 2.197 20 0 HEADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164816952 720285145 /nfs/dbraw/zinc/28/51/45/720285145.db2.gz AFCKANBDCRCEDW-OALUTQOASA-N 2 0 400.571 2.153 20 0 HEADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164816951 720285520 /nfs/dbraw/zinc/28/55/20/720285520.db2.gz AFCKANBDCRCEDW-MOPGFXCFSA-N 2 0 400.571 2.153 20 0 HEADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164841713 720671480 /nfs/dbraw/zinc/67/14/80/720671480.db2.gz PRTMUDGMSRCJBI-NRFANRHFSA-N 2 0 422.577 2.146 20 0 HEADRP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(N2CCCC2)[nH+]1 ZINC001164743464 720813132 /nfs/dbraw/zinc/81/31/32/720813132.db2.gz GCECZVJZXUYKSV-QHAWAJNXSA-N 2 0 422.581 2.356 20 0 HEADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)C[NH2+]C4)C3)c1 ZINC001164757425 720888979 /nfs/dbraw/zinc/88/89/79/720888979.db2.gz UOTCAJCRKLESHT-XUZZJYLKSA-N 2 0 420.561 2.230 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164771621 721103321 /nfs/dbraw/zinc/10/33/21/721103321.db2.gz SHCZYLYSWLEFHG-ZWKOTPCHSA-N 2 0 415.973 2.289 20 0 HEADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896771 721439654 /nfs/dbraw/zinc/43/96/54/721439654.db2.gz RZBLRZMJTJAQDQ-VWNXMTODSA-N 2 0 413.610 2.441 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)c2)CC1 ZINC001164790147 721484735 /nfs/dbraw/zinc/48/47/35/721484735.db2.gz DBFXNGGEPNCKPF-QMMLZNLJSA-N 2 0 424.549 2.107 20 0 HEADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[N@@H+]3C2)c1 ZINC001164896820 721510072 /nfs/dbraw/zinc/51/00/72/721510072.db2.gz BNNLAWPZOVWMPT-GDBMZVCRSA-N 2 0 403.889 2.257 20 0 HEADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164911025 721554971 /nfs/dbraw/zinc/55/49/71/721554971.db2.gz YCJXIHUWDQHFML-PXNSSMCTSA-N 2 0 413.497 2.088 20 0 HEADRP O=C(c1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)N1CC[NH2+]CC1 ZINC001164956164 722019411 /nfs/dbraw/zinc/01/94/11/722019411.db2.gz XIOAQQDJQIAACO-UHFFFAOYSA-N 2 0 420.561 2.015 20 0 HEADRP [NH3+][C@@H]1CCCN(c2cc(-n3cc4c(n3)CC[C@H]([NH3+])C4)nc(Oc3ccccc3)n2)C1 ZINC001168810812 1079044388 /nfs/dbraw/zinc/04/43/88/1079044388.db2.gz CJRSSGDWXHVARX-DLBZAZTESA-N 2 0 405.506 2.198 20 0 HEADRP COc1ccc(CN2CC[C@@H]([NH2+][C@H]3CC[C@H]([NH+]4CCOCC4)CC3)CC2=O)cc1 ZINC001168917522 1079075135 /nfs/dbraw/zinc/07/51/35/1079075135.db2.gz WLNBSIFPGKYXMH-NJDAHSKKSA-N 2 0 401.551 2.419 20 0 HEADRP CC[NH+](CC)CCN1CC[NH+]([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168920104 1079075784 /nfs/dbraw/zinc/07/57/84/1079075784.db2.gz LOFAXXHWFRQYEL-NRFANRHFSA-N 2 0 402.583 2.146 20 0 HEADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H](C)C1 ZINC000766561989 1079096076 /nfs/dbraw/zinc/09/60/76/1079096076.db2.gz GNKHHISRKPQQTP-GDBMZVCRSA-N 2 0 415.522 2.027 20 0 HEADRP CN1CC2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)COc2ccccc2S1(=O)=O ZINC001169129913 1079150628 /nfs/dbraw/zinc/15/06/28/1079150628.db2.gz LUJHDXLQOKTMKY-BWTSREIZSA-N 2 0 419.591 2.407 20 0 HEADRP Cc1nc(CN2CCN(C)C3(CC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)C2=O)cs1 ZINC001169133736 1079152108 /nfs/dbraw/zinc/15/21/08/1079152108.db2.gz JKMDCHJXFXZMEA-ACDBMABISA-N 2 0 417.623 2.185 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C1)C2 ZINC001169141227 1079163534 /nfs/dbraw/zinc/16/35/34/1079163534.db2.gz VWIZWOVXFHUZQR-UOKSHHMNSA-N 2 0 412.578 2.093 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)CO1 ZINC001169391983 1079262436 /nfs/dbraw/zinc/26/24/36/1079262436.db2.gz MJHIEZPQUWHMAF-RTWAWAEBSA-N 2 0 417.550 2.107 20 0 HEADRP CCOC(=O)N1CCC[C@H]([N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001169695178 1079375859 /nfs/dbraw/zinc/37/58/59/1079375859.db2.gz UINMRMDXZLTQEG-SFHVURJKSA-N 2 0 407.559 2.178 20 0 HEADRP CC(C)(C)OC(=O)N1CC[NH+](CCCC[NH2+]C2CCC(S(C)(=O)=O)CC2)CC1 ZINC001169852744 1079447581 /nfs/dbraw/zinc/44/75/81/1079447581.db2.gz AFAYVXOAXABLKQ-UHFFFAOYSA-N 2 0 417.616 2.265 20 0 HEADRP CC[NH+]1CCN(CCC(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000738549151 1076000987 /nfs/dbraw/zinc/00/09/87/1076000987.db2.gz ORHZBYKDTFMLCY-UHFFFAOYSA-N 2 0 401.599 2.431 20 0 HEADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739064299 1076034269 /nfs/dbraw/zinc/03/42/69/1076034269.db2.gz APDMQESFBDGUIL-GOSISDBHSA-N 2 0 417.598 2.250 20 0 HEADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739082353 1076039818 /nfs/dbraw/zinc/03/98/18/1076039818.db2.gz SFZONUYGCHWYEG-SFHVURJKSA-N 2 0 417.598 2.250 20 0 HEADRP CC[NH+]1CCC(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000742376861 1076835044 /nfs/dbraw/zinc/83/50/44/1076835044.db2.gz BEOPJBIGIGHCQR-INIZCTEOSA-N 2 0 402.992 2.416 20 0 HEADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C1 ZINC000743993155 1077284616 /nfs/dbraw/zinc/28/46/16/1077284616.db2.gz NRZZDCUEWYYALG-NRFANRHFSA-N 2 0 415.582 2.098 20 0 HEADRP CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000745023215 1077708360 /nfs/dbraw/zinc/70/83/60/1077708360.db2.gz ZELNPYDFIQLKSO-HXUWFJFHSA-N 2 0 401.551 2.431 20 0 HEADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363266 1079830264 /nfs/dbraw/zinc/83/02/64/1079830264.db2.gz JARATYHBGGHWJW-RTBURBONSA-N 2 0 408.587 2.262 20 0 HEADRP O=C(C[C@H](O)c1ccc(Cl)cc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000772629878 1079988386 /nfs/dbraw/zinc/98/83/86/1079988386.db2.gz QQAUBAGRLNZELS-FQEVSTJZSA-N 2 0 402.926 2.487 20 0 HEADRP C[C@@]1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000785517852 1080031413 /nfs/dbraw/zinc/03/14/13/1080031413.db2.gz QSHATJJGENXHGV-QHCPKHFHSA-N 2 0 400.567 2.007 20 0 HEADRP C[C@@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000785574379 1080083530 /nfs/dbraw/zinc/08/35/30/1080083530.db2.gz OVTKTUFITFPMHU-IBGZPJMESA-N 2 0 400.567 2.279 20 0 HEADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)c2)CC1 ZINC000768037053 1080279259 /nfs/dbraw/zinc/27/92/59/1080279259.db2.gz QJQYSKBYBCWAQU-IBGZPJMESA-N 2 0 415.582 2.146 20 0 HEADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786825446 1080846305 /nfs/dbraw/zinc/84/63/05/1080846305.db2.gz GOAWQWLIZIKHMT-KRWDZBQOSA-N 2 0 409.534 2.358 20 0 HEADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000769391978 1081050412 /nfs/dbraw/zinc/05/04/12/1081050412.db2.gz DWBWSOMSKBRXOR-VQTJNVASSA-N 2 0 416.566 2.483 20 0 HEADRP CC(C)(C)C(=O)Nc1ccnc(N2CCC(F)(C[NH3+])CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164391652 718812915 /nfs/dbraw/zinc/81/29/15/718812915.db2.gz GVZCUFJHCVKVKW-INIZCTEOSA-N 2 0 421.561 2.148 20 0 HEADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164434587 718970834 /nfs/dbraw/zinc/97/08/34/718970834.db2.gz UFCAIWGDUPNRIT-RBUKOAKNSA-N 2 0 412.456 2.197 20 0 HEADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2cncc(N4CC[NH2+]CC4)n2)CC3)cs1 ZINC001164693006 719809904 /nfs/dbraw/zinc/80/99/04/719809904.db2.gz OVUMHYOMYVOWKH-UHFFFAOYSA-N 2 0 413.595 2.286 20 0 HEADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164813733 720189092 /nfs/dbraw/zinc/18/90/92/720189092.db2.gz DVTZIRAWRJCKCR-NZQKXSOJSA-N 2 0 415.582 2.040 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836522 720518110 /nfs/dbraw/zinc/51/81/10/720518110.db2.gz MVWNZFXOKNFVQK-TXPKVOOTSA-N 2 0 415.973 2.350 20 0 HEADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164838230 720660270 /nfs/dbraw/zinc/66/02/70/720660270.db2.gz GLWRNLVVJUREKY-HXUWFJFHSA-N 2 0 407.562 2.425 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164766712 721241315 /nfs/dbraw/zinc/24/13/15/721241315.db2.gz VIGCHDIDCLBXEV-LEWJYISDSA-N 2 0 410.566 2.152 20 0 HEADRP c1cnc(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@H]32)c2cccc(OCC[NH+]3CCCC3)n2)nc1 ZINC001164793138 721484412 /nfs/dbraw/zinc/48/44/12/721484412.db2.gz SLAFRVIPBPOZKA-ZCNNSNEGSA-N 2 0 424.549 2.109 20 0 HEADRP c1cnc(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2cccc(OCC[NH+]3CCCC3)n2)nc1 ZINC001164793136 721484579 /nfs/dbraw/zinc/48/45/79/721484579.db2.gz SLAFRVIPBPOZKA-UFYCRDLUSA-N 2 0 424.549 2.109 20 0 HEADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164791319 721496005 /nfs/dbraw/zinc/49/60/05/721496005.db2.gz AKJCIEREEWSDHD-UHFFFAOYSA-N 2 0 407.566 2.162 20 0 HEADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164899649 721517985 /nfs/dbraw/zinc/51/79/85/721517985.db2.gz LLDKKVALOYPQLT-HOCLYGCPSA-N 2 0 403.889 2.257 20 0 HEADRP C[NH+](C)[C@@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC001165036497 721894085 /nfs/dbraw/zinc/89/40/85/721894085.db2.gz RVNZSZMCNWEHHZ-ZWKOTPCHSA-N 2 0 417.598 2.411 20 0 HEADRP C[NH+]1CCN(c2cccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)n2)CC1 ZINC001164958072 722051105 /nfs/dbraw/zinc/05/11/05/722051105.db2.gz BKNWSNIAZDVART-YCRNBWNJSA-N 2 0 408.550 2.134 20 0 HEADRP C[C@@H](CCN1CC[NH+](C)CC1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000769759686 1078544159 /nfs/dbraw/zinc/54/41/59/1078544159.db2.gz JEMSZXWVRYFELJ-IBGZPJMESA-N 2 0 403.640 2.141 20 0 HEADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000769964152 1078655512 /nfs/dbraw/zinc/65/55/12/1078655512.db2.gz XQOIMCXTKHXCRW-SFHVURJKSA-N 2 0 400.567 2.457 20 0 HEADRP COC(=O)C1(C)CCC([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)CC1 ZINC001168782102 1078904880 /nfs/dbraw/zinc/90/48/80/1078904880.db2.gz KUBZGCJIVNKEMT-UHFFFAOYSA-N 2 0 404.555 2.411 20 0 HEADRP COC(=O)C1(C)CCC([NH+]2CCC(N3CCC([NH+]4CCN(C)CC4)CC3)CC2)CC1 ZINC001168794017 1079002179 /nfs/dbraw/zinc/00/21/79/1079002179.db2.gz IRGVAAFNOKIMCI-UHFFFAOYSA-N 2 0 420.642 2.285 20 0 HEADRP O=C(C[N@H+]1CC[C@@H](CO)C1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000746461992 1079014779 /nfs/dbraw/zinc/01/47/79/1079014779.db2.gz IZEFEZBYKHUAKJ-OAQYLSRUSA-N 2 0 408.546 2.262 20 0 HEADRP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169129895 1079150696 /nfs/dbraw/zinc/15/06/96/1079150696.db2.gz LLOLEULNSREDMY-NYLIBXOJSA-N 2 0 407.555 2.485 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131812 1079151436 /nfs/dbraw/zinc/15/14/36/1079151436.db2.gz ZTSFIOHPQDODEV-ACDBMABISA-N 2 0 420.598 2.403 20 0 HEADRP C[C@H]([NH3+])c1ccn(-c2nc(C[N@@H+]3CC[C@@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229990 1079204150 /nfs/dbraw/zinc/20/41/50/1079204150.db2.gz NEPFHQZMDJFMKB-LSDHHAIUSA-N 2 0 400.527 2.086 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)CO1 ZINC001169387710 1079258123 /nfs/dbraw/zinc/25/81/23/1079258123.db2.gz OJASOQMEFONFHB-BJLQDIEVSA-N 2 0 406.523 2.446 20 0 HEADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001169554159 1079330566 /nfs/dbraw/zinc/33/05/66/1079330566.db2.gz HWWRVTXIWHYIFR-XQBPLPMBSA-N 2 0 413.603 2.475 20 0 HEADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605609 1079343193 /nfs/dbraw/zinc/34/31/93/1079343193.db2.gz LCQWWGWHGFZKCI-FGZHOGPDSA-N 2 0 400.567 2.395 20 0 HEADRP [NH3+]CCc1cn(-c2ccnc(N3CC[NH2+]CC3)n2)c2cc(OC(F)(F)F)ccc12 ZINC001169606675 1079343734 /nfs/dbraw/zinc/34/37/34/1079343734.db2.gz HDUWJPOVUADVQL-UHFFFAOYSA-N 2 0 406.412 2.230 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)cc2)CC1 ZINC000743077304 1076945353 /nfs/dbraw/zinc/94/53/53/1076945353.db2.gz CFPKNJDFBDBNRJ-UHFFFAOYSA-N 2 0 416.614 2.318 20 0 HEADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccn(Cc2ccccn2)n1 ZINC000743164993 1076982311 /nfs/dbraw/zinc/98/23/11/1076982311.db2.gz RRJUBJKMSXAFRU-UHFFFAOYSA-N 2 0 420.521 2.055 20 0 HEADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000743932211 1077258105 /nfs/dbraw/zinc/25/81/05/1077258105.db2.gz UYQGTOMRDNCRGM-FXAWDEMLSA-N 2 0 415.582 2.002 20 0 HEADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000743946862 1077276854 /nfs/dbraw/zinc/27/68/54/1077276854.db2.gz LSBIJHNPZPQETA-NRFANRHFSA-N 2 0 416.566 2.227 20 0 HEADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000785519605 1080032714 /nfs/dbraw/zinc/03/27/14/1080032714.db2.gz HJQCBYUGPLNKJX-XMMPIXPASA-N 2 0 414.594 2.253 20 0 HEADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768215903 1080417714 /nfs/dbraw/zinc/41/77/14/1080417714.db2.gz DIZIDSVKMUJUOU-UNMCSNQZSA-N 2 0 418.582 2.030 20 0 HEADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769156134 1080975189 /nfs/dbraw/zinc/97/51/89/1080975189.db2.gz PZRCUYDZWVMGKA-FCHUYYIVSA-N 2 0 402.583 2.180 20 0 HEADRP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000769512145 1081103073 /nfs/dbraw/zinc/10/30/73/1081103073.db2.gz JJIKEQPNXCZDTK-ICSRJNTNSA-N 2 0 412.619 2.264 20 0 HEADRP c1ccc(C[N@@H+]2CCc3nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)ccc3C2)cc1 ZINC001164422833 718913689 /nfs/dbraw/zinc/91/36/89/718913689.db2.gz BMSPDNAKTRMXCX-XMMPIXPASA-N 2 0 408.546 2.225 20 0 HEADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164715732 720157483 /nfs/dbraw/zinc/15/74/83/720157483.db2.gz WHIZVPYABGMRKL-OAQYLSRUSA-N 2 0 422.577 2.374 20 0 HEADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742705 720808197 /nfs/dbraw/zinc/80/81/97/720808197.db2.gz DBVZOLRNIKPAAB-XUVXKRRUSA-N 2 0 410.570 2.212 20 0 HEADRP c1cn(-c2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)cn1 ZINC001164753527 720853276 /nfs/dbraw/zinc/85/32/76/720853276.db2.gz XBTPHIFTCWPJBV-SESVDKBCSA-N 2 0 404.522 2.238 20 0 HEADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)C[NH2+]C4)C3)c1 ZINC001164757424 720889189 /nfs/dbraw/zinc/88/91/89/720889189.db2.gz UOTCAJCRKLESHT-URXFXBBRSA-N 2 0 420.561 2.230 20 0 HEADRP Cc1cccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778840 721329057 /nfs/dbraw/zinc/32/90/57/721329057.db2.gz ZEICATRCFWOADU-NFBKMPQASA-N 2 0 408.550 2.196 20 0 HEADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898270 721433055 /nfs/dbraw/zinc/43/30/55/721433055.db2.gz VNVRRFZHSMOBSX-UPVQGACJSA-N 2 0 413.610 2.443 20 0 HEADRP FC1(F)CCN(c2cc(C3C[NH2+]C3)ncn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910573 721738784 /nfs/dbraw/zinc/73/87/84/721738784.db2.gz GJIIPSQLQQEAII-HXUWFJFHSA-N 2 0 400.477 2.296 20 0 HEADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2)cc1 ZINC001164937907 721920237 /nfs/dbraw/zinc/92/02/37/721920237.db2.gz HFEXDIZUNFHQPN-UHFFFAOYSA-N 2 0 407.562 2.345 20 0 HEADRP C[NH+]1CCN(c2cccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)n2)CC1 ZINC001164958068 722051229 /nfs/dbraw/zinc/05/12/29/722051229.db2.gz BKNWSNIAZDVART-DNVFCKCGSA-N 2 0 408.550 2.134 20 0 HEADRP C[C@H](CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000770172049 1078768286 /nfs/dbraw/zinc/76/82/86/1078768286.db2.gz MSJGQIUKGMFUTI-SGNDLWITSA-N 2 0 422.658 2.138 20 0 HEADRP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](C1CCC(C)(C(=O)OC)CC1)CCC2 ZINC001168781765 1078903784 /nfs/dbraw/zinc/90/37/84/1078903784.db2.gz GCQAHXICMVMMQX-UHFFFAOYSA-N 2 0 404.555 2.413 20 0 HEADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H](C)C1 ZINC000766561990 1079096092 /nfs/dbraw/zinc/09/60/92/1079096092.db2.gz GNKHHISRKPQQTP-GOEBONIOSA-N 2 0 415.522 2.027 20 0 HEADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169041587 1079108232 /nfs/dbraw/zinc/10/82/32/1079108232.db2.gz RYGAWRDJWBWKTB-UFYCRDLUSA-N 2 0 416.566 2.317 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129849 1079150215 /nfs/dbraw/zinc/15/02/15/1079150215.db2.gz KURLUCOJSNWRJU-JYLXEMOASA-N 2 0 409.571 2.340 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[NH+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131598 1079151234 /nfs/dbraw/zinc/15/12/34/1079151234.db2.gz WHBIHSIIFRPUSH-HXKBJWFLSA-N 3 0 423.605 2.111 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138479 1079155718 /nfs/dbraw/zinc/15/57/18/1079155718.db2.gz HHUKQIDIIGYBQQ-CEQLMSFQSA-N 2 0 410.566 2.371 20 0 HEADRP [NH3+]Cc1ccc2nnn(-c3cc(N4CCC[C@H]([NH3+])C4)nc(Oc4ccccc4)n3)c2c1 ZINC001170021893 1079157158 /nfs/dbraw/zinc/15/71/58/1079157158.db2.gz GLNSYZYKRUBBGI-INIZCTEOSA-N 2 0 416.489 2.389 20 0 HEADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169172544 1079187336 /nfs/dbraw/zinc/18/73/36/1079187336.db2.gz QARFMBWQRRQBLT-ROUUACIJSA-N 2 0 420.602 2.093 20 0 HEADRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170024525 1079240453 /nfs/dbraw/zinc/24/04/53/1079240453.db2.gz BLLAEYGWVCKXHD-HOTGVXAUSA-N 2 0 414.616 2.217 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)CO1 ZINC001169384532 1079255810 /nfs/dbraw/zinc/25/58/10/1079255810.db2.gz FWKMGXPFFBSUQH-NJYVYQBISA-N 2 0 417.550 2.248 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CO1 ZINC001169396736 1079268558 /nfs/dbraw/zinc/26/85/58/1079268558.db2.gz LYKNZJMPEBWBQC-POHUPDAJSA-N 2 0 424.582 2.077 20 0 HEADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C(C)(C)C(C)(C)[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170028341 1079378919 /nfs/dbraw/zinc/37/89/19/1079378919.db2.gz BCQOKXGCBCNKQM-KBPBESRZSA-N 2 0 400.589 2.003 20 0 HEADRP Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000742717220 1076873864 /nfs/dbraw/zinc/87/38/64/1076873864.db2.gz ANDGZSZTPFPFDC-LJQANCHMSA-N 2 0 412.456 2.434 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000743413782 1077049387 /nfs/dbraw/zinc/04/93/87/1077049387.db2.gz KKXVFZLOOWKMIS-LJQANCHMSA-N 2 0 415.582 2.004 20 0 HEADRP CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000743863493 1077185428 /nfs/dbraw/zinc/18/54/28/1077185428.db2.gz QYEHALHOTXRTOG-FQEVSTJZSA-N 2 0 401.599 2.431 20 0 HEADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000743979647 1077292447 /nfs/dbraw/zinc/29/24/47/1077292447.db2.gz HXFWKBIFGMMPAM-SFHVURJKSA-N 2 0 415.582 2.004 20 0 HEADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000743980865 1077293939 /nfs/dbraw/zinc/29/39/39/1077293939.db2.gz NITYXMXWHQJLOY-INIZCTEOSA-N 2 0 421.973 2.021 20 0 HEADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000786334478 1080566567 /nfs/dbraw/zinc/56/65/67/1080566567.db2.gz QIVYVEDUUWMBAJ-DEOSSOPVSA-N 2 0 414.594 2.251 20 0 HEADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000768675143 1080710659 /nfs/dbraw/zinc/71/06/59/1080710659.db2.gz FLABWSMCNBJGNM-AABGKKOBSA-N 2 0 412.619 2.263 20 0 HEADRP CCC[NH+]1CCN(c2ccc(NC(=O)NCC[N@H+](CC)CCO)cc2Cl)CC1 ZINC000769233823 1081010740 /nfs/dbraw/zinc/01/07/40/1081010740.db2.gz SPJFBFBFRLVHQJ-UHFFFAOYSA-N 2 0 411.978 2.308 20 0 HEADRP CC(C)N(C)Cc1nn(-c2nc(Cl)cc(C3CC[NH2+]CC3)n2)c2c1CC[NH2+]C2 ZINC001164683001 719615728 /nfs/dbraw/zinc/61/57/28/719615728.db2.gz GWOQUWWVHKFOGW-UHFFFAOYSA-N 2 0 403.962 2.269 20 0 HEADRP C[C@@H]1CCCN1C(=O)c1nn(-c2cccc(OCC[NH+]3CCCC3)n2)c2c1C[NH2+]CC2 ZINC001164852679 720805729 /nfs/dbraw/zinc/80/57/29/720805729.db2.gz OHWJQMFIMKZDND-QGZVFWFLSA-N 2 0 424.549 2.012 20 0 HEADRP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(N2CCCC2)[nH+]1 ZINC001164743458 720813280 /nfs/dbraw/zinc/81/32/80/720813280.db2.gz GCECZVJZXUYKSV-NJDAHSKKSA-N 2 0 422.581 2.356 20 0 HEADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872276 721124739 /nfs/dbraw/zinc/12/47/39/721124739.db2.gz HGBIMODPFRILAN-FCHUYYIVSA-N 2 0 423.561 2.431 20 0 HEADRP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]cc21 ZINC001164766084 721188460 /nfs/dbraw/zinc/18/84/60/721188460.db2.gz IWMZGNGEPAWOEQ-SJORKVTESA-N 2 0 408.506 2.431 20 0 HEADRP FC1(F)CCN(c2ncnc3c2CC[NH2+]CC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906154 721584368 /nfs/dbraw/zinc/58/43/68/721584368.db2.gz ZDKHNDOSSKDHPU-NRFANRHFSA-N 2 0 414.504 2.298 20 0 HEADRP FC1(F)CCN(c2cc(C3C[NH2+]C3)ncn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164910571 721738181 /nfs/dbraw/zinc/73/81/81/721738181.db2.gz GJIIPSQLQQEAII-FQEVSTJZSA-N 2 0 400.477 2.296 20 0 HEADRP C[N@H+](Cc1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1)C1CC1 ZINC001165016840 721766835 /nfs/dbraw/zinc/76/68/35/721766835.db2.gz YOOGENBUROYWOD-UHFFFAOYSA-N 2 0 404.522 2.494 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001165027241 721802044 /nfs/dbraw/zinc/80/20/44/721802044.db2.gz UTBJGZYYGFSZBV-ILWGZMRPSA-N 2 0 421.593 2.360 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]21 ZINC001165026174 721814414 /nfs/dbraw/zinc/81/44/14/721814414.db2.gz PJFNXVUKKRWDIS-HMXCVIKNSA-N 2 0 407.566 2.018 20 0 HEADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@@H]2C1 ZINC001164997925 722216699 /nfs/dbraw/zinc/21/66/99/722216699.db2.gz STXBTAJBMXOHSM-PWIZWCRZSA-N 2 0 402.539 2.063 20 0 HEADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000769996188 1078678996 /nfs/dbraw/zinc/67/89/96/1078678996.db2.gz TUHVJPSSTMHBTE-GJZGRUSLSA-N 2 0 419.538 2.368 20 0 HEADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccnc1I ZINC000770491498 1078879070 /nfs/dbraw/zinc/87/90/70/1078879070.db2.gz YBBBNLBMVTWVHY-UHFFFAOYSA-N 2 0 418.323 2.032 20 0 HEADRP Cc1sc(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000390930455 1078915210 /nfs/dbraw/zinc/91/52/10/1078915210.db2.gz ICSWQXDCDQDFEX-UHFFFAOYSA-N 2 0 424.430 2.466 20 0 HEADRP COc1ccc(CN2CC[C@H](N3CC[NH+](CC4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC001168952031 1079085330 /nfs/dbraw/zinc/08/53/30/1079085330.db2.gz BYBSBGVASNHXEV-QFIPXVFZSA-N 2 0 414.594 2.146 20 0 HEADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169609053 1079344588 /nfs/dbraw/zinc/34/45/88/1079344588.db2.gz HQHXNQAFLXZJAO-FCHUYYIVSA-N 2 0 407.599 2.227 20 0 HEADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000766799620 1079387486 /nfs/dbraw/zinc/38/74/86/1079387486.db2.gz COKDHUQZNQTBKR-JOCHJYFZSA-N 2 0 424.630 2.410 20 0 HEADRP CNC(=O)c1ccc(CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2CC2)cc1 ZINC000771753937 1079484161 /nfs/dbraw/zinc/48/41/61/1079484161.db2.gz OEAQJLDNOPVRTJ-QFIPXVFZSA-N 2 0 408.546 2.430 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738367838 1075991357 /nfs/dbraw/zinc/99/13/57/1075991357.db2.gz YXDYPNPHPCADCI-CYBMUJFWSA-N 2 0 409.383 2.425 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000738515887 1075998958 /nfs/dbraw/zinc/99/89/58/1075998958.db2.gz CNFYSWKPFVRAQM-NHCUHLMSSA-N 2 0 400.567 2.039 20 0 HEADRP C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCC[C@H](C(=O)N3CCC34CC[NH+](C)CC4)C2)CC1 ZINC000742185029 1076775121 /nfs/dbraw/zinc/77/51/21/1076775121.db2.gz HBDHUKCAWHKJIE-BGYRXZFFSA-N 2 0 416.610 2.186 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)COC)cc1 ZINC000743091243 1076951602 /nfs/dbraw/zinc/95/16/02/1076951602.db2.gz XNRIVZSHDZTWMP-LJQANCHMSA-N 2 0 405.543 2.151 20 0 HEADRP C[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000767836713 1080157716 /nfs/dbraw/zinc/15/77/16/1080157716.db2.gz LDRRQSMYMAUKSX-YADHBBJMSA-N 2 0 415.582 2.328 20 0 HEADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000768675168 1080710679 /nfs/dbraw/zinc/71/06/79/1080710679.db2.gz FLABWSMCNBJGNM-AQNXPRMDSA-N 2 0 412.619 2.263 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000768957525 1080883006 /nfs/dbraw/zinc/88/30/06/1080883006.db2.gz QNZFQVBFDGVVEY-YADHBBJMSA-N 2 0 415.582 2.328 20 0 HEADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000769504597 1081099397 /nfs/dbraw/zinc/09/93/97/1081099397.db2.gz GXTCFVVSNBUQTF-RCCFBDPRSA-N 2 0 414.472 2.471 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000769512147 1081103042 /nfs/dbraw/zinc/10/30/42/1081103042.db2.gz JJIKEQPNXCZDTK-UYAOXDASSA-N 2 0 412.619 2.264 20 0 HEADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000769512693 1081103598 /nfs/dbraw/zinc/10/35/98/1081103598.db2.gz QWVGFRIOALFSEU-HSALFYBXSA-N 2 0 412.619 2.264 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2)CC1 ZINC000746670257 1081105952 /nfs/dbraw/zinc/10/59/52/1081105952.db2.gz YEYVSDNMHHQCGN-OAQYLSRUSA-N 2 0 413.610 2.431 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CCCO[C@@H]4[C@@H](N4CCCC4=O)C3)c2)CC1 ZINC001164647474 719305225 /nfs/dbraw/zinc/30/52/25/719305225.db2.gz MJIJMPBQYHSJHA-NYDSKATKSA-N 2 0 414.550 2.161 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)c2)CC1 ZINC001164678689 719545496 /nfs/dbraw/zinc/54/54/96/719545496.db2.gz MLIKQCUBGWVXTD-JRGCBEDISA-N 2 0 414.550 2.161 20 0 HEADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164813731 720188639 /nfs/dbraw/zinc/18/86/39/720188639.db2.gz DVTZIRAWRJCKCR-NFBKMPQASA-N 2 0 415.582 2.040 20 0 HEADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164813735 720190459 /nfs/dbraw/zinc/19/04/59/720190459.db2.gz DVTZIRAWRJCKCR-OFNKIYASSA-N 2 0 415.582 2.040 20 0 HEADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164816953 720284422 /nfs/dbraw/zinc/28/44/22/720284422.db2.gz AFCKANBDCRCEDW-RBUKOAKNSA-N 2 0 400.571 2.153 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@@H]21 ZINC001164839561 720565958 /nfs/dbraw/zinc/56/59/58/720565958.db2.gz QMRVPSRSVSAULE-FSSWDIPSSA-N 2 0 423.609 2.408 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@H]4C3)c2)CC1 ZINC001164852426 720813922 /nfs/dbraw/zinc/81/39/22/720813922.db2.gz NQUBRNVSBLIJBB-NQIIRXRSSA-N 2 0 407.518 2.044 20 0 HEADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)C[NH2+]C4)C3)c1 ZINC001164757426 720888829 /nfs/dbraw/zinc/88/88/29/720888829.db2.gz UOTCAJCRKLESHT-ZJSXRUAMSA-N 2 0 420.561 2.230 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4ncc(Cn5cccn5)n4CC3)c2)CC1 ZINC001164862746 721033412 /nfs/dbraw/zinc/03/34/12/721033412.db2.gz PPNZLVFENBEMQX-UHFFFAOYSA-N 2 0 407.522 2.059 20 0 HEADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872279 721126299 /nfs/dbraw/zinc/12/62/99/721126299.db2.gz HGBIMODPFRILAN-FGZHOGPDSA-N 2 0 423.561 2.431 20 0 HEADRP Cc1cccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778843 721328965 /nfs/dbraw/zinc/32/89/65/721328965.db2.gz ZEICATRCFWOADU-REWPJTCUSA-N 2 0 408.550 2.196 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(CCCCN4S(C)(=O)=O)C3)c2)CC1 ZINC001164892844 721377186 /nfs/dbraw/zinc/37/71/86/721377186.db2.gz TXWLFFSUVGMPGY-NRFANRHFSA-N 2 0 422.595 2.339 20 0 HEADRP FC1(F)CCN(c2cc3c(nn2)CC[NH2+]C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906630 721714576 /nfs/dbraw/zinc/71/45/76/721714576.db2.gz NJIJVFJSOIYSTG-FQEVSTJZSA-N 2 0 400.477 2.255 20 0 HEADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164981805 722132597 /nfs/dbraw/zinc/13/25/97/722132597.db2.gz QMBKNQQKRCDILS-UNMCSNQZSA-N 2 0 408.550 2.066 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000745817811 1078659903 /nfs/dbraw/zinc/65/99/03/1078659903.db2.gz XRBISZQUISUKHM-LJQANCHMSA-N 2 0 411.591 2.053 20 0 HEADRP COC(=O)Nc1ccc(CNC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000745991264 1078722925 /nfs/dbraw/zinc/72/29/25/1078722925.db2.gz UJSAXRYLHCPJPY-UHFFFAOYSA-N 2 0 418.538 2.058 20 0 HEADRP C[C@H](CCN1CCC[N@H+](C[C@H]2CCCO2)CC1)[NH+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000770172051 1078768571 /nfs/dbraw/zinc/76/85/71/1078768571.db2.gz MSJGQIUKGMFUTI-SMIHKQSGSA-N 2 0 422.658 2.138 20 0 HEADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804279952 1079000719 /nfs/dbraw/zinc/00/07/19/1079000719.db2.gz VLHRMOUSYMENCR-HSZRJFAPSA-N 2 0 422.573 2.345 20 0 HEADRP C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766534032 1079070175 /nfs/dbraw/zinc/07/01/75/1079070175.db2.gz GMEOVBHRQHEEMJ-DOTOQJQBSA-N 2 0 417.666 2.416 20 0 HEADRP COc1ccc(CN2CC[C@@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168902418 1079070516 /nfs/dbraw/zinc/07/05/16/1079070516.db2.gz BCKWQQXMQWSGMG-IEBWSBKVSA-N 2 0 420.554 2.366 20 0 HEADRP Cc1nc(NC2CC2)sc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000771004952 1079101928 /nfs/dbraw/zinc/10/19/28/1079101928.db2.gz OMSYGSZUOZFAOY-UHFFFAOYSA-N 2 0 400.552 2.363 20 0 HEADRP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc12 ZINC001169123944 1079145655 /nfs/dbraw/zinc/14/56/55/1079145655.db2.gz NNOOWSKKPSDQHR-DMUMMCEESA-N 2 0 412.534 2.362 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129854 1079150167 /nfs/dbraw/zinc/15/01/67/1079150167.db2.gz KURLUCOJSNWRJU-WEMPKCCASA-N 2 0 409.571 2.340 20 0 HEADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCCCCCC[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170026977 1079343606 /nfs/dbraw/zinc/34/36/06/1079343606.db2.gz PHIMXKWJRDUZQD-SJORKVTESA-N 2 0 414.616 2.396 20 0 HEADRP O=C(C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC001169742786 1079385989 /nfs/dbraw/zinc/38/59/89/1079385989.db2.gz BYKPNEOHIQOBNE-OAQYLSRUSA-N 2 0 412.578 2.358 20 0 HEADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H](CCO)c1cccs1 ZINC000741083047 1076357576 /nfs/dbraw/zinc/35/75/76/1076357576.db2.gz RRVHCODFOCKYAQ-GOSISDBHSA-N 2 0 403.552 2.078 20 0 HEADRP CC[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000743413076 1077048846 /nfs/dbraw/zinc/04/88/46/1077048846.db2.gz ZQRLBAULWZRIAC-JOCHJYFZSA-N 2 0 400.567 2.202 20 0 HEADRP C[C@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000785574380 1080083492 /nfs/dbraw/zinc/08/34/92/1080083492.db2.gz OVTKTUFITFPMHU-LJQANCHMSA-N 2 0 400.567 2.279 20 0 HEADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768215899 1080417787 /nfs/dbraw/zinc/41/77/87/1080417787.db2.gz DIZIDSVKMUJUOU-IRLDBZIGSA-N 2 0 418.582 2.030 20 0 HEADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000786334479 1080566929 /nfs/dbraw/zinc/56/69/29/1080566929.db2.gz QIVYVEDUUWMBAJ-XMMPIXPASA-N 2 0 414.594 2.251 20 0 HEADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786833881 1080828928 /nfs/dbraw/zinc/82/89/28/1080828928.db2.gz CRJNWQHKROYIER-KRWDZBQOSA-N 2 0 415.582 2.494 20 0 HEADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786855414 1080853241 /nfs/dbraw/zinc/85/32/41/1080853241.db2.gz IOPXMMFDYSTGLU-QGZVFWFLSA-N 2 0 409.534 2.358 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000768957523 1080882948 /nfs/dbraw/zinc/88/29/48/1080882948.db2.gz QNZFQVBFDGVVEY-FGZHOGPDSA-N 2 0 415.582 2.328 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000769514917 1081105023 /nfs/dbraw/zinc/10/50/23/1081105023.db2.gz CDRLEIZYXTULMH-WSTZPKSXSA-N 2 0 410.603 2.159 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769532649 1081112993 /nfs/dbraw/zinc/11/29/93/1081112993.db2.gz RTIHNYFPZAPXEL-VBSBHUPXSA-N 2 0 411.587 2.368 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4ccnn4C[C@H](C(=O)N4CCCC4)C3)c2)CC1 ZINC001164820196 720268460 /nfs/dbraw/zinc/26/84/60/720268460.db2.gz VAXSULVNGPXEFG-GOSISDBHSA-N 2 0 424.549 2.010 20 0 HEADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164736483 720577125 /nfs/dbraw/zinc/57/71/25/720577125.db2.gz LKGVFTFQCKPFKS-UHFFFAOYSA-N 2 0 410.566 2.411 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164771618 721102922 /nfs/dbraw/zinc/10/29/22/721102922.db2.gz SHCZYLYSWLEFHG-QZTJIDSGSA-N 2 0 415.973 2.289 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164771619 721103501 /nfs/dbraw/zinc/10/35/01/721103501.db2.gz SHCZYLYSWLEFHG-ROUUACIJSA-N 2 0 415.973 2.289 20 0 HEADRP CCN1C(=O)[C@]2(CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]32)N=C1C ZINC001164872631 721234327 /nfs/dbraw/zinc/23/43/27/721234327.db2.gz NHRHWQAIFGJCFP-XTQVGHSUSA-N 2 0 411.550 2.420 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)c2)CC1 ZINC001164961555 722035281 /nfs/dbraw/zinc/03/52/81/722035281.db2.gz WIIXRPJLIGMREY-XUZZJYLKSA-N 2 0 421.545 2.482 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000745802680 1078653401 /nfs/dbraw/zinc/65/34/01/1078653401.db2.gz UDMPUOROBONQQN-PXNSSMCTSA-N 2 0 415.582 2.324 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000745802679 1078653421 /nfs/dbraw/zinc/65/34/21/1078653421.db2.gz UDMPUOROBONQQN-FXAWDEMLSA-N 2 0 415.582 2.324 20 0 HEADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770026191 1078693899 /nfs/dbraw/zinc/69/38/99/1078693899.db2.gz IORFXDDGHHIASU-IBGZPJMESA-N 2 0 400.567 2.500 20 0 HEADRP Cc1cccc(N2CC[NH+](CCC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000746258543 1078834784 /nfs/dbraw/zinc/83/47/84/1078834784.db2.gz LYTVRRTVIRDTIH-QHCPKHFHSA-N 2 0 414.594 2.267 20 0 HEADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000770770603 1078989393 /nfs/dbraw/zinc/98/93/93/1078989393.db2.gz NCCBXRSHJFGLBV-LEWJYISDSA-N 2 0 401.555 2.193 20 0 HEADRP CN(CC[N@H+](C)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C1CC[NH+](C)CC1 ZINC001168894481 1079063860 /nfs/dbraw/zinc/06/38/60/1079063860.db2.gz QWMCOTBYFZAFNB-NZQKXSOJSA-N 2 0 424.630 2.360 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135517 1079152732 /nfs/dbraw/zinc/15/27/32/1079152732.db2.gz YWPCQZZAACBQPJ-AJSVUVGVSA-N 2 0 412.578 2.093 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138480 1079155743 /nfs/dbraw/zinc/15/57/43/1079155743.db2.gz HHUKQIDIIGYBQQ-KXTWHKPSSA-N 2 0 410.566 2.371 20 0 HEADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169172543 1079187335 /nfs/dbraw/zinc/18/73/35/1079187335.db2.gz QARFMBWQRRQBLT-QZTJIDSGSA-N 2 0 420.602 2.093 20 0 HEADRP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[N@H+](C)C1CC1 ZINC000739088063 1076042690 /nfs/dbraw/zinc/04/26/90/1076042690.db2.gz MHDNFJFOBNWXJA-QGZVFWFLSA-N 2 0 415.582 2.002 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000740489852 1076171167 /nfs/dbraw/zinc/17/11/67/1076171167.db2.gz BDGUFMBGZXFVFF-IBGZPJMESA-N 2 0 415.582 2.005 20 0 HEADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740824539 1076247776 /nfs/dbraw/zinc/24/77/76/1076247776.db2.gz OTLIGSUELCXJPQ-UHFFFAOYSA-N 2 0 403.976 2.089 20 0 HEADRP Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000743414035 1077049127 /nfs/dbraw/zinc/04/91/27/1077049127.db2.gz PVSMXNALKMGWAO-JOCHJYFZSA-N 2 0 423.561 2.104 20 0 HEADRP CCN(CC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744430034 1077390717 /nfs/dbraw/zinc/39/07/17/1077390717.db2.gz SLBDDFHKBJDWJL-GOSISDBHSA-N 2 0 424.586 2.035 20 0 HEADRP CC(C)[NH+]1CCC(NC(=O)COC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000745094726 1077727740 /nfs/dbraw/zinc/72/77/40/1077727740.db2.gz SJDZQIXKOBAUDT-UHFFFAOYSA-N 2 0 401.551 2.431 20 0 HEADRP O=C(C[NH2+][C@@H](CO)C1CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000771801960 1079536710 /nfs/dbraw/zinc/53/67/10/1079536710.db2.gz KAZBPNNHFAXYNW-QHCPKHFHSA-N 2 0 408.546 2.308 20 0 HEADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768199353 1080390138 /nfs/dbraw/zinc/39/01/38/1080390138.db2.gz MHKHMUKWTFHIKN-FPOVZHCZSA-N 2 0 418.582 2.028 20 0 HEADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(N2CCNC2=O)cc1 ZINC000786890257 1080870523 /nfs/dbraw/zinc/87/05/23/1080870523.db2.gz QSWXBZYRFWXOMT-GCJKJVERSA-N 2 0 423.561 2.156 20 0 HEADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164415597 718884938 /nfs/dbraw/zinc/88/49/38/718884938.db2.gz MCKQGCQYWGQFQZ-UHFFFAOYSA-N 2 0 415.545 2.330 20 0 HEADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1 ZINC001164655142 719327218 /nfs/dbraw/zinc/32/72/18/719327218.db2.gz NZLKDZACRILPDW-GOSISDBHSA-N 2 0 419.551 2.228 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccnc3)c2)CC1 ZINC001164691419 719774273 /nfs/dbraw/zinc/77/42/73/719774273.db2.gz OOWOTHKQIYBYDQ-SFTDATJTSA-N 2 0 407.518 2.329 20 0 HEADRP c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2)c1 ZINC001164696906 719896093 /nfs/dbraw/zinc/89/60/93/719896093.db2.gz IGDBRAGUUUMFRD-UHFFFAOYSA-N 2 0 413.591 2.424 20 0 HEADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164711629 720094066 /nfs/dbraw/zinc/09/40/66/720094066.db2.gz RUTDSBVNQQRSMQ-HXUWFJFHSA-N 2 0 422.577 2.067 20 0 HEADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164712062 720102697 /nfs/dbraw/zinc/10/26/97/720102697.db2.gz UVQWAZSTOAZXGM-FQEVSTJZSA-N 2 0 408.550 2.025 20 0 HEADRP c1cncc(CO[C@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872282 721125202 /nfs/dbraw/zinc/12/52/02/721125202.db2.gz HGBIMODPFRILAN-VXKWHMMOSA-N 2 0 423.561 2.431 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879550 721178076 /nfs/dbraw/zinc/17/80/76/721178076.db2.gz TYXWDZQTWBKKRV-OFNKIYASSA-N 2 0 423.561 2.429 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(CCCCN4S(C)(=O)=O)C3)c2)CC1 ZINC001164892845 721377429 /nfs/dbraw/zinc/37/74/29/721377429.db2.gz TXWLFFSUVGMPGY-OAQYLSRUSA-N 2 0 422.595 2.339 20 0 HEADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890328 721450126 /nfs/dbraw/zinc/45/01/26/721450126.db2.gz QWJZDPOKSGLASP-LADGPHEKSA-N 2 0 413.610 2.443 20 0 HEADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890327 721450606 /nfs/dbraw/zinc/45/06/06/721450606.db2.gz QWJZDPOKSGLASP-ISKFKSNPSA-N 2 0 413.610 2.443 20 0 HEADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164981800 722132055 /nfs/dbraw/zinc/13/20/55/722132055.db2.gz QMBKNQQKRCDILS-IRLDBZIGSA-N 2 0 408.550 2.066 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000745729645 1078618401 /nfs/dbraw/zinc/61/84/01/1078618401.db2.gz QDPIIZJKBXQWJM-FQEVSTJZSA-N 2 0 417.554 2.201 20 0 HEADRP COc1cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000769996187 1078678807 /nfs/dbraw/zinc/67/88/07/1078678807.db2.gz TUHVJPSSTMHBTE-CABCVRRESA-N 2 0 419.538 2.368 20 0 HEADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000770000398 1078680657 /nfs/dbraw/zinc/68/06/57/1078680657.db2.gz CPFMCEAVOTXODR-URVUXULASA-N 2 0 418.582 2.028 20 0 HEADRP COc1ccc(CN2CC[C@H](N(CCC[NH+](C)C)CCC[NH+](C)C)CC2=O)cc1 ZINC001168943906 1079082200 /nfs/dbraw/zinc/08/22/00/1079082200.db2.gz FLYGBVKYIKOHSK-NRFANRHFSA-N 2 0 404.599 2.392 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CO[C@@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093567 1079127203 /nfs/dbraw/zinc/12/72/03/1079127203.db2.gz IOBBDIMLKHETQT-NFSXTHTRSA-N 2 0 409.571 2.244 20 0 HEADRP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc12 ZINC001169123945 1079145722 /nfs/dbraw/zinc/14/57/22/1079145722.db2.gz NNOOWSKKPSDQHR-GNBUJSLZSA-N 2 0 412.534 2.362 20 0 HEADRP CC[NH+]1CCC(N(CC(C)C)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CC1 ZINC001169250828 1079211851 /nfs/dbraw/zinc/21/18/51/1079211851.db2.gz UCDDAKXWWGTZEJ-UHFFFAOYSA-N 2 0 401.599 2.418 20 0 HEADRP CC[NH+]1CCC(N[C@@H](CCC[NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001169244894 1079210243 /nfs/dbraw/zinc/21/02/43/1079210243.db2.gz YDFOKFXPKAGLLS-IBGZPJMESA-N 2 0 400.523 2.221 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)CO1 ZINC001169392334 1079262383 /nfs/dbraw/zinc/26/23/83/1079262383.db2.gz PTLRBKXCZMFGET-SFTDATJTSA-N 2 0 417.550 2.107 20 0 HEADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CO1 ZINC001169396737 1079268742 /nfs/dbraw/zinc/26/87/42/1079268742.db2.gz LYKNZJMPEBWBQC-ZGJYDULXSA-N 2 0 424.582 2.077 20 0 HEADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCCCCCC[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170026974 1079342055 /nfs/dbraw/zinc/34/20/55/1079342055.db2.gz PHIMXKWJRDUZQD-IRXDYDNUSA-N 2 0 414.616 2.396 20 0 HEADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169609056 1079344692 /nfs/dbraw/zinc/34/46/92/1079344692.db2.gz HQHXNQAFLXZJAO-YADHBBJMSA-N 2 0 407.599 2.227 20 0 HEADRP CCOC(=O)N1CCC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001169694988 1079375385 /nfs/dbraw/zinc/37/53/85/1079375385.db2.gz VHPWJWPPNKNZBE-QZNHQXDQSA-N 2 0 422.614 2.258 20 0 HEADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NCC12CC[NH+](CC1)CC2 ZINC001169794447 1079422345 /nfs/dbraw/zinc/42/23/45/1079422345.db2.gz OBPWHSFHLBSETH-KRWDZBQOSA-N 2 0 404.555 2.085 20 0 HEADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[NH+]1CCCC1 ZINC000739070712 1076037422 /nfs/dbraw/zinc/03/74/22/1076037422.db2.gz RRNFCTMWXFBGNF-SFHVURJKSA-N 2 0 415.582 2.004 20 0 HEADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(Br)cc1F ZINC000741087026 1076350243 /nfs/dbraw/zinc/35/02/43/1076350243.db2.gz SZCAEFMIAQDDSU-UHFFFAOYSA-N 2 0 403.340 2.266 20 0 HEADRP CCC[NH+]1CCN(c2ccc(NC(=O)NCC3(O)CC[NH+](C)CC3)cc2Cl)CC1 ZINC000741063567 1076351151 /nfs/dbraw/zinc/35/11/51/1076351151.db2.gz OVMSHEWKQJOJCO-UHFFFAOYSA-N 2 0 423.989 2.450 20 0 HEADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000743932213 1077257956 /nfs/dbraw/zinc/25/79/56/1077257956.db2.gz UYQGTOMRDNCRGM-XLIONFOSSA-N 2 0 415.582 2.002 20 0 HEADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000743980867 1077294086 /nfs/dbraw/zinc/29/40/86/1077294086.db2.gz NITYXMXWHQJLOY-MRXNPFEDSA-N 2 0 421.973 2.021 20 0 HEADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000772497528 1079885230 /nfs/dbraw/zinc/88/52/30/1079885230.db2.gz VBDKHZVFJVAUNU-NRFANRHFSA-N 2 0 401.555 2.241 20 0 HEADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000769504590 1081099440 /nfs/dbraw/zinc/09/94/40/1081099440.db2.gz GXTCFVVSNBUQTF-KZNAEPCWSA-N 2 0 414.472 2.471 20 0 HEADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164431981 718970471 /nfs/dbraw/zinc/97/04/71/718970471.db2.gz DDLNQSCUFHKAHF-RTBURBONSA-N 2 0 412.456 2.199 20 0 HEADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164434585 718970955 /nfs/dbraw/zinc/97/09/55/718970955.db2.gz UFCAIWGDUPNRIT-MOPGFXCFSA-N 2 0 412.456 2.197 20 0 HEADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164431980 718971014 /nfs/dbraw/zinc/97/10/14/718971014.db2.gz DDLNQSCUFHKAHF-RBUKOAKNSA-N 2 0 412.456 2.199 20 0 HEADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C[NH+]3CCCC3)cn1)CCC2 ZINC001164812906 720234093 /nfs/dbraw/zinc/23/40/93/720234093.db2.gz KIOFHJIJGVGEJB-UHFFFAOYSA-N 2 0 410.566 2.485 20 0 HEADRP CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]21 ZINC001164828532 720424286 /nfs/dbraw/zinc/42/42/86/720424286.db2.gz WYQUJLDHELVGPW-DBXWQHBBSA-N 2 0 416.566 2.168 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164836520 720517707 /nfs/dbraw/zinc/51/77/07/720517707.db2.gz MVWNZFXOKNFVQK-GJYPPUQNSA-N 2 0 415.973 2.350 20 0 HEADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164748257 720808304 /nfs/dbraw/zinc/80/83/04/720808304.db2.gz QCLMEDCZCQLHRB-QHAWAJNXSA-N 2 0 422.581 2.356 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)c2)CC1 ZINC001164758368 721010336 /nfs/dbraw/zinc/01/03/36/721010336.db2.gz IFXWFTFWUMEOKU-FKBYEOEOSA-N 2 0 410.518 2.370 20 0 HEADRP CCN1C(=O)[C@]2(CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]32)N=C1C ZINC001164872628 721234376 /nfs/dbraw/zinc/23/43/76/721234376.db2.gz NHRHWQAIFGJCFP-HCLVMJGWSA-N 2 0 411.550 2.420 20 0 HEADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164895455 721429783 /nfs/dbraw/zinc/42/97/83/721429783.db2.gz PEBMHEQTPDWKTI-VGSWGCGISA-N 2 0 420.001 2.146 20 0 HEADRP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164910291 721548848 /nfs/dbraw/zinc/54/88/48/721548848.db2.gz UCPSXWXQDSHIOC-PZJWPPBQSA-N 2 0 411.525 2.490 20 0 HEADRP C[NH+](C)[C@@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)C1 ZINC001165036495 721893912 /nfs/dbraw/zinc/89/39/12/721893912.db2.gz RVNZSZMCNWEHHZ-QZTJIDSGSA-N 2 0 417.598 2.411 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000745802681 1078653426 /nfs/dbraw/zinc/65/34/26/1078653426.db2.gz UDMPUOROBONQQN-XLIONFOSSA-N 2 0 415.582 2.324 20 0 HEADRP C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766534039 1079070107 /nfs/dbraw/zinc/07/01/07/1079070107.db2.gz GMEOVBHRQHEEMJ-RDJZCZTQSA-N 2 0 417.666 2.416 20 0 HEADRP COc1ccc(CN2CC[C@@H](N(CCC[NH+](C)C)CCC[NH+](C)C)CC2=O)cc1 ZINC001168943907 1079082338 /nfs/dbraw/zinc/08/23/38/1079082338.db2.gz FLYGBVKYIKOHSK-OAQYLSRUSA-N 2 0 404.599 2.392 20 0 HEADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H](C)C1 ZINC000766561991 1079096011 /nfs/dbraw/zinc/09/60/11/1079096011.db2.gz GNKHHISRKPQQTP-HOCLYGCPSA-N 2 0 415.522 2.027 20 0 HEADRP CN1CC2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)COc2ccccc2S1(=O)=O ZINC001169129914 1079150603 /nfs/dbraw/zinc/15/06/03/1079150603.db2.gz LUJHDXLQOKTMKY-REPLKXPHSA-N 2 0 419.591 2.407 20 0 HEADRP Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC001169133347 1079152057 /nfs/dbraw/zinc/15/20/57/1079152057.db2.gz DQNNWGMKMNQHNH-PMOLBWCYSA-N 2 0 409.582 2.145 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135518 1079152665 /nfs/dbraw/zinc/15/26/65/1079152665.db2.gz YWPCQZZAACBQPJ-DPVJEZKXSA-N 2 0 412.578 2.093 20 0 HEADRP CC1(C)C[C@@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169142269 1079164576 /nfs/dbraw/zinc/16/45/76/1079164576.db2.gz MEFIKURIHNZOQM-OXQOHEQNSA-N 2 0 409.600 2.119 20 0 HEADRP CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000771140741 1079189237 /nfs/dbraw/zinc/18/92/37/1079189237.db2.gz TWDFGAWFVXJBKA-GOSISDBHSA-N 2 0 405.543 2.013 20 0 HEADRP C[N@H+]([C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C1CCC([NH3+])CC1 ZINC001170023566 1079221833 /nfs/dbraw/zinc/22/18/33/1079221833.db2.gz ZNUWHHNGIQVOAW-BACDZXNISA-N 2 0 412.600 2.099 20 0 HEADRP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)CO1 ZINC001169392328 1079262501 /nfs/dbraw/zinc/26/25/01/1079262501.db2.gz PTLRBKXCZMFGET-LEWJYISDSA-N 2 0 417.550 2.107 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@]3(CO)CCc4ccccc43)cc2)CC1 ZINC000766252783 1076160548 /nfs/dbraw/zinc/16/05/48/1076160548.db2.gz SXPQVYDZNLIRNQ-DEOSSOPVSA-N 2 0 408.546 2.191 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000741685332 1076585442 /nfs/dbraw/zinc/58/54/42/1076585442.db2.gz SMBPWDSOPZKXAN-KRWDZBQOSA-N 2 0 406.502 2.270 20 0 HEADRP C[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000767836710 1080157568 /nfs/dbraw/zinc/15/75/68/1080157568.db2.gz LDRRQSMYMAUKSX-VXKWHMMOSA-N 2 0 415.582 2.328 20 0 HEADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000787142560 1081026029 /nfs/dbraw/zinc/02/60/29/1081026029.db2.gz BBNGIOCFLIQWGK-IBGZPJMESA-N 2 0 400.567 2.066 20 0 HEADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000769391976 1081049847 /nfs/dbraw/zinc/04/98/47/1081049847.db2.gz DWBWSOMSKBRXOR-PMACEKPBSA-N 2 0 416.566 2.483 20 0 HEADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000769391977 1081050019 /nfs/dbraw/zinc/05/00/19/1081050019.db2.gz DWBWSOMSKBRXOR-UXHICEINSA-N 2 0 416.566 2.483 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769532638 1081113345 /nfs/dbraw/zinc/11/33/45/1081113345.db2.gz RTIHNYFPZAPXEL-AFYVEPGGSA-N 2 0 411.587 2.368 20 0 HEADRP Cn1nnc2c1CCN(c1cc(N3CCCC3)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714482 720190640 /nfs/dbraw/zinc/19/06/40/720190640.db2.gz FXQIUIQIYJQLMX-HXUWFJFHSA-N 2 0 411.554 2.027 20 0 HEADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164817833 720284764 /nfs/dbraw/zinc/28/47/64/720284764.db2.gz GBBIRRRQPDIMPO-WOJBJXKFSA-N 2 0 412.582 2.297 20 0 HEADRP Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(N2CCCC2)[nH+]1 ZINC001164819619 720295481 /nfs/dbraw/zinc/29/54/81/720295481.db2.gz FCWSJVAFUCBRGU-WOJBJXKFSA-N 2 0 412.582 2.297 20 0 HEADRP Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(N2CCCC2)[nH+]1 ZINC001164819618 720295918 /nfs/dbraw/zinc/29/59/18/720295918.db2.gz FCWSJVAFUCBRGU-VQTJNVASSA-N 2 0 412.582 2.297 20 0 HEADRP FC1(F)CCN(c2ncnc3c2CC[NH2+]C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904311 721692768 /nfs/dbraw/zinc/69/27/68/721692768.db2.gz FMOLLWNHFHBIDJ-FQEVSTJZSA-N 2 0 400.477 2.255 20 0 HEADRP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164978095 722134770 /nfs/dbraw/zinc/13/47/70/722134770.db2.gz JVUSYVGIMWNXIJ-IFMALSPDSA-N 3 0 422.577 2.131 20 0 HEADRP [NH3+]C1CCN(c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164978099 722135042 /nfs/dbraw/zinc/13/50/42/722135042.db2.gz JVUSYVGIMWNXIJ-RBBKRZOGSA-N 3 0 422.577 2.131 20 0 HEADRP C[NH+](C)CCCC1CC[NH+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)CC1 ZINC000766381315 1078931562 /nfs/dbraw/zinc/93/15/62/1078931562.db2.gz MWSLVMADUIZVQR-UHFFFAOYSA-N 2 0 408.587 2.467 20 0 HEADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001168839601 1079050432 /nfs/dbraw/zinc/05/04/32/1079050432.db2.gz VNDCRXXUGJPQIF-JOCHJYFZSA-N 2 0 412.619 2.095 20 0 HEADRP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001168839564 1079050446 /nfs/dbraw/zinc/05/04/46/1079050446.db2.gz VFNOPEIQGJSBNX-NZQKXSOJSA-N 2 0 409.615 2.351 20 0 HEADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169041585 1079108402 /nfs/dbraw/zinc/10/84/02/1079108402.db2.gz RYGAWRDJWBWKTB-SLFFLAALSA-N 2 0 416.566 2.317 20 0 HEADRP CN(C)c1nccc(N2CCOC[C@]3(CCC[N@@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)n1 ZINC001169128642 1079147649 /nfs/dbraw/zinc/14/76/49/1079147649.db2.gz GCKBADXYOFPCED-SRYPRDQNSA-N 2 0 414.598 2.087 20 0 HEADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)CC1 ZINC001169091339 1079138699 /nfs/dbraw/zinc/13/86/99/1079138699.db2.gz NOABZSYXKIRGFW-UHFFFAOYSA-N 2 0 400.611 2.368 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCO[C@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129852 1079150294 /nfs/dbraw/zinc/15/02/94/1079150294.db2.gz KURLUCOJSNWRJU-MDPIYQRISA-N 2 0 409.571 2.340 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133474 1079152024 /nfs/dbraw/zinc/15/20/24/1079152024.db2.gz GVLXIMVWXRFUHP-UOKSHHMNSA-N 2 0 412.578 2.093 20 0 HEADRP CC1(C)C[C@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169142265 1079164749 /nfs/dbraw/zinc/16/47/49/1079164749.db2.gz MEFIKURIHNZOQM-JXFKEZNVSA-N 2 0 409.600 2.119 20 0 HEADRP C[C@@H]([NH3+])c1ccn(-c2nc(C[N@@H+]3CC[C@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229987 1079204068 /nfs/dbraw/zinc/20/40/68/1079204068.db2.gz NEPFHQZMDJFMKB-CABCVRRESA-N 2 0 400.527 2.086 20 0 HEADRP O=C(C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC001169742785 1079385933 /nfs/dbraw/zinc/38/59/33/1079385933.db2.gz BYKPNEOHIQOBNE-NRFANRHFSA-N 2 0 412.578 2.358 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169884148 1079457801 /nfs/dbraw/zinc/45/78/01/1079457801.db2.gz YIZSMAUQDWNHRA-NYLDSWQDSA-N 2 0 421.607 2.493 20 0 HEADRP C(CC[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1)CN1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000740878478 1076279046 /nfs/dbraw/zinc/27/90/46/1076279046.db2.gz IAQFIMZSEPEZRX-ZEQRLZLVSA-N 2 0 422.658 2.140 20 0 HEADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H](O)c1ccccc1Cl ZINC000740911549 1076302761 /nfs/dbraw/zinc/30/27/61/1076302761.db2.gz KODCGOSWXDYUAX-HXUWFJFHSA-N 2 0 417.941 2.280 20 0 HEADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000741084970 1076349345 /nfs/dbraw/zinc/34/93/45/1076349345.db2.gz LCMUSQLTUGAAMX-MSOLQXFVSA-N 2 0 413.607 2.157 20 0 HEADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741807032 1076634107 /nfs/dbraw/zinc/63/41/07/1076634107.db2.gz UBLMQGIDKIBBGK-FQEVSTJZSA-N 2 0 416.566 2.428 20 0 HEADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000737464035 1076856611 /nfs/dbraw/zinc/85/66/11/1076856611.db2.gz QECVKWLLJGPRCW-UHFFFAOYSA-N 2 0 421.655 2.211 20 0 HEADRP CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc2Cl)CC1 ZINC000744907670 1077660266 /nfs/dbraw/zinc/66/02/66/1077660266.db2.gz JTIDHYCVDVERCU-INIZCTEOSA-N 2 0 423.989 2.267 20 0 HEADRP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000767330748 1079808076 /nfs/dbraw/zinc/80/80/76/1079808076.db2.gz IJPNBHHDKGREBW-CAOQBOHGSA-N 2 0 401.551 2.209 20 0 HEADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768726577 1080756277 /nfs/dbraw/zinc/75/62/77/1080756277.db2.gz JLBBHGJAQXEGLQ-SFHVURJKSA-N 2 0 402.539 2.090 20 0 HEADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786855413 1080853216 /nfs/dbraw/zinc/85/32/16/1080853216.db2.gz IOPXMMFDYSTGLU-KRWDZBQOSA-N 2 0 409.534 2.358 20 0 HEADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769156139 1080975267 /nfs/dbraw/zinc/97/52/67/1080975267.db2.gz PZRCUYDZWVMGKA-VXKWHMMOSA-N 2 0 402.583 2.180 20 0 HEADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000769512691 1081103551 /nfs/dbraw/zinc/10/35/51/1081103551.db2.gz QWVGFRIOALFSEU-AQNXPRMDSA-N 2 0 412.619 2.264 20 0 HEADRP O=C(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH2+]CC1 ZINC001164628999 719086515 /nfs/dbraw/zinc/08/65/15/719086515.db2.gz PQGUBVYBNLWHFE-RBBKRZOGSA-N 2 0 405.546 2.228 20 0 HEADRP O=C(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH2+]CC1 ZINC001164628998 719087026 /nfs/dbraw/zinc/08/70/26/719087026.db2.gz PQGUBVYBNLWHFE-IRLDBZIGSA-N 2 0 405.546 2.228 20 0 HEADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3c1CC[NH2+]C3)CCC2 ZINC001164812904 720232629 /nfs/dbraw/zinc/23/26/29/720232629.db2.gz KEYBLFZUEGRRIG-UHFFFAOYSA-N 2 0 416.957 2.188 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843568 720580182 /nfs/dbraw/zinc/58/01/82/720580182.db2.gz YFCWXLWWLSJZGI-BAGYTPMASA-N 2 0 409.582 2.066 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)c2)CC1 ZINC001164758369 721009871 /nfs/dbraw/zinc/00/98/71/721009871.db2.gz IFXWFTFWUMEOKU-FSSWDIPSSA-N 2 0 410.518 2.370 20 0 HEADRP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[N@@H+]3C2)c1 ZINC001164896830 721509932 /nfs/dbraw/zinc/50/99/32/721509932.db2.gz BNNLAWPZOVWMPT-HOCLYGCPSA-N 2 0 403.889 2.257 20 0 HEADRP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164910289 721548461 /nfs/dbraw/zinc/54/84/61/721548461.db2.gz UCPSXWXQDSHIOC-FPOVZHCZSA-N 2 0 411.525 2.490 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(CCN(c5cncnc5)C4=O)C3)c2)CC1 ZINC001165024297 721785532 /nfs/dbraw/zinc/78/55/32/721785532.db2.gz VORYDZNGALXQBD-HSZRJFAPSA-N 2 0 422.533 2.368 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4cnc(Cn5cccn5)c4C3)c2)CC1 ZINC001164940030 721915775 /nfs/dbraw/zinc/91/57/75/721915775.db2.gz YDGAVHSJQCRYDE-UHFFFAOYSA-N 2 0 407.522 2.406 20 0 HEADRP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000746247240 1078831116 /nfs/dbraw/zinc/83/11/16/1078831116.db2.gz LRBKYHYCOASAPB-UHFFFAOYSA-N 2 0 411.550 2.197 20 0 HEADRP [NH3+][C@H]1CCc2nn(-c3cc(N4CCC[C@H]([NH3+])C4)nc(Oc4ccccc4)n3)cc2C1 ZINC001168810816 1079044341 /nfs/dbraw/zinc/04/43/41/1079044341.db2.gz CJRSSGDWXHVARX-IRXDYDNUSA-N 2 0 405.506 2.198 20 0 HEADRP COc1ccc(CN2CC[C@@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168902419 1079070444 /nfs/dbraw/zinc/07/04/44/1079070444.db2.gz BCKWQQXMQWSGMG-MJGOQNOKSA-N 2 0 420.554 2.366 20 0 HEADRP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[C@H]([NH+]4CCOCC4)CC3)CC2=O)cc1 ZINC001168917521 1079075182 /nfs/dbraw/zinc/07/51/82/1079075182.db2.gz WLNBSIFPGKYXMH-ACRUOGEOSA-N 2 0 401.551 2.419 20 0 HEADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H](C)C1 ZINC000766561992 1079096052 /nfs/dbraw/zinc/09/60/52/1079096052.db2.gz GNKHHISRKPQQTP-ZBFHGGJFSA-N 2 0 415.522 2.027 20 0 HEADRP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169129896 1079150783 /nfs/dbraw/zinc/15/07/83/1079150783.db2.gz LLOLEULNSREDMY-RRQVMCLOSA-N 2 0 407.555 2.485 20 0 HEADRP Cc1nc(CN2CCN(C)C3(CC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)C2=O)cs1 ZINC001169133737 1079152202 /nfs/dbraw/zinc/15/22/02/1079152202.db2.gz JKMDCHJXFXZMEA-PMOLBWCYSA-N 2 0 417.623 2.185 20 0 HEADRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170024524 1079240309 /nfs/dbraw/zinc/24/03/09/1079240309.db2.gz BLLAEYGWVCKXHD-CVEARBPZSA-N 2 0 414.616 2.217 20 0 HEADRP CCOC(=O)C1=C(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)NC(=O)N[C@@H]1C ZINC000771451928 1079329471 /nfs/dbraw/zinc/32/94/71/1079329471.db2.gz HOGPWSVFMOIORD-MRXNPFEDSA-N 2 0 415.538 2.138 20 0 HEADRP CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001169694188 1079374310 /nfs/dbraw/zinc/37/43/10/1079374310.db2.gz OYCKATXGTFMLSU-NJDAHSKKSA-N 2 0 420.598 2.405 20 0 HEADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H](O)c1ccccc1Cl ZINC000740911548 1076302669 /nfs/dbraw/zinc/30/26/69/1076302669.db2.gz KODCGOSWXDYUAX-FQEVSTJZSA-N 2 0 417.941 2.280 20 0 HEADRP O=C(COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000741326779 1076477398 /nfs/dbraw/zinc/47/73/98/1076477398.db2.gz DLACISSMVAYVKF-SFHVURJKSA-N 2 0 417.525 2.324 20 0 HEADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768726576 1080756352 /nfs/dbraw/zinc/75/63/52/1080756352.db2.gz JLBBHGJAQXEGLQ-GOSISDBHSA-N 2 0 402.539 2.090 20 0 HEADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000769161688 1080979669 /nfs/dbraw/zinc/97/96/69/1080979669.db2.gz QRLCGBICRHFNOL-UHFFFAOYSA-N 2 0 410.603 2.413 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2)CC1 ZINC000746670253 1081105999 /nfs/dbraw/zinc/10/59/99/1081105999.db2.gz YEYVSDNMHHQCGN-NRFANRHFSA-N 2 0 413.610 2.431 20 0 HEADRP CCOC(=O)C1CC[NH+](C2CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)CC1 ZINC001164616447 719030285 /nfs/dbraw/zinc/03/02/85/719030285.db2.gz FGJNSBJFQWJZPS-UHFFFAOYSA-N 2 0 402.539 2.162 20 0 HEADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164712065 720102818 /nfs/dbraw/zinc/10/28/18/720102818.db2.gz UVQWAZSTOAZXGM-HXUWFJFHSA-N 2 0 408.550 2.025 20 0 HEADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164711158 720104027 /nfs/dbraw/zinc/10/40/27/720104027.db2.gz OTWOQUCULPBSRM-IBGZPJMESA-N 2 0 408.550 2.025 20 0 HEADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164710376 720128742 /nfs/dbraw/zinc/12/87/42/720128742.db2.gz ABVZIHVQXXHEPE-FQEVSTJZSA-N 2 0 408.550 2.025 20 0 HEADRP Cc1cc(N2CCCC2)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164817828 720284997 /nfs/dbraw/zinc/28/49/97/720284997.db2.gz GBBIRRRQPDIMPO-UXHICEINSA-N 2 0 412.582 2.297 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4C(=O)N(Cc5ccncc5)C[C@@H]4C3)c2)CC1 ZINC001164852430 720814198 /nfs/dbraw/zinc/81/41/98/720814198.db2.gz NQUBRNVSBLIJBB-RXVVDRJESA-N 2 0 407.518 2.044 20 0 HEADRP [NH3+]Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757163 720882621 /nfs/dbraw/zinc/88/26/21/720882621.db2.gz TXUTWICDDSGCGI-NFBKMPQASA-N 2 0 408.550 2.085 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164762495 721182152 /nfs/dbraw/zinc/18/21/52/721182152.db2.gz CJSZNAXGWSNJOI-SFTDATJTSA-N 2 0 410.566 2.248 20 0 HEADRP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001164869863 721266963 /nfs/dbraw/zinc/26/69/63/721266963.db2.gz QZUQLWURWFWRAR-UHFFFAOYSA-N 2 0 412.534 2.250 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@]4(C(=O)NCC4CC4)C3)c2)CC1 ZINC001164883150 721345449 /nfs/dbraw/zinc/34/54/49/721345449.db2.gz KGLMBGFQUAXCDF-REWPJTCUSA-N 2 0 414.550 2.066 20 0 HEADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164798116 721571275 /nfs/dbraw/zinc/57/12/75/721571275.db2.gz ADVGIHNZWPQFMX-YZUZCNPQSA-N 2 0 422.577 2.272 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001165027242 721801919 /nfs/dbraw/zinc/80/19/19/721801919.db2.gz UTBJGZYYGFSZBV-KSEOMHKRSA-N 2 0 421.593 2.360 20 0 HEADRP C[NH+]1CCN(c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)CC1 ZINC001164955055 722013548 /nfs/dbraw/zinc/01/35/48/722013548.db2.gz SARDWBWUBFETCG-UHFFFAOYSA-N 2 0 407.566 2.116 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000745729646 1078618325 /nfs/dbraw/zinc/61/83/25/1078618325.db2.gz QDPIIZJKBXQWJM-HXUWFJFHSA-N 2 0 417.554 2.201 20 0 HEADRP C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c2)CC1 ZINC000746014395 1078733838 /nfs/dbraw/zinc/73/38/38/1078733838.db2.gz CIODPOLETKAIAK-UHFFFAOYSA-N 2 0 407.562 2.438 20 0 HEADRP CCOC(=O)Nc1ccc2c(C[N@H+](C)CCCN3CC[NH+](C)CC3)cc(=O)oc2c1 ZINC000746464726 1079023232 /nfs/dbraw/zinc/02/32/32/1079023232.db2.gz XXNFGZGJQGYKMA-UHFFFAOYSA-N 2 0 416.522 2.431 20 0 HEADRP CN(CC[N@H+](C)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C1CC[NH+](C)CC1 ZINC001168894480 1079063464 /nfs/dbraw/zinc/06/34/64/1079063464.db2.gz QWMCOTBYFZAFNB-NFBKMPQASA-N 2 0 424.630 2.360 20 0 HEADRP C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766534037 1079070052 /nfs/dbraw/zinc/07/00/52/1079070052.db2.gz GMEOVBHRQHEEMJ-NVXWUHKLSA-N 2 0 417.666 2.416 20 0 HEADRP COC(=O)CC[N@H+](CCC[NH+](C)C)[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943704 1079081922 /nfs/dbraw/zinc/08/19/22/1079081922.db2.gz ZUNYZPDLVRWMOD-IBGZPJMESA-N 2 0 405.539 2.003 20 0 HEADRP CN(C)C(=O)CN1CC[C@]2(C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]2c2ccccc2)C1=O ZINC001169131626 1079151542 /nfs/dbraw/zinc/15/15/42/1079151542.db2.gz WOHSEQHMLRKVNC-NPKKMJAZSA-N 2 0 424.589 2.018 20 0 HEADRP C[C@@H]([NH3+])c1ccn(-c2nc(C[N@@H+]3CC[C@@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229989 1079204178 /nfs/dbraw/zinc/20/41/78/1079204178.db2.gz NEPFHQZMDJFMKB-HUUCEWRRSA-N 2 0 400.527 2.086 20 0 HEADRP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)CO1 ZINC001169392330 1079262225 /nfs/dbraw/zinc/26/22/25/1079262225.db2.gz PTLRBKXCZMFGET-NHCUHLMSSA-N 2 0 417.550 2.107 20 0 HEADRP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)CO1 ZINC001169391981 1079262352 /nfs/dbraw/zinc/26/23/52/1079262352.db2.gz MJHIEZPQUWHMAF-LEWJYISDSA-N 2 0 417.550 2.107 20 0 HEADRP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CO1 ZINC001169392352 1079262471 /nfs/dbraw/zinc/26/24/71/1079262471.db2.gz PWFMWCKYOVYGHZ-LEWJYISDSA-N 2 0 402.535 2.464 20 0 HEADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NCC12CC[NH+](CC1)CC2 ZINC001169794448 1079422067 /nfs/dbraw/zinc/42/20/67/1079422067.db2.gz OBPWHSFHLBSETH-QGZVFWFLSA-N 2 0 404.555 2.085 20 0 HEADRP CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000739709584 1076074669 /nfs/dbraw/zinc/07/46/69/1076074669.db2.gz WXUWXDCSPRRGDD-UHFFFAOYSA-N 2 0 419.570 2.403 20 0 HEADRP CCC[C@@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000766320009 1077442155 /nfs/dbraw/zinc/44/21/55/1077442155.db2.gz LJVNFDNGLZPQHE-LJQANCHMSA-N 2 0 403.571 2.403 20 0 HEADRP C[C@]1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000785517851 1080031318 /nfs/dbraw/zinc/03/13/18/1080031318.db2.gz QSHATJJGENXHGV-HSZRJFAPSA-N 2 0 400.567 2.007 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC[NH+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650999 1080100265 /nfs/dbraw/zinc/10/02/65/1080100265.db2.gz GEYKXWYKFROHNA-QUCCMNQESA-N 2 0 405.514 2.134 20 0 HEADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOc2ccccc2)CC[N@@H+]1C ZINC001109305148 1080588737 /nfs/dbraw/zinc/58/87/37/1080588737.db2.gz FTJBNUMXVCXENG-MPCSADPFSA-N 2 0 401.551 2.144 20 0 HEADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769156141 1080974576 /nfs/dbraw/zinc/97/45/76/1080974576.db2.gz PZRCUYDZWVMGKA-YADHBBJMSA-N 2 0 402.583 2.180 20 0 HEADRP CCOC(=O)C1=C(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@H]1C ZINC000787299525 1081097420 /nfs/dbraw/zinc/09/74/20/1081097420.db2.gz INDASOWCZHGTKM-GRXQJBFDSA-N 2 0 414.550 2.251 20 0 HEADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1 ZINC001164655146 719327006 /nfs/dbraw/zinc/32/70/06/719327006.db2.gz NZLKDZACRILPDW-SFHVURJKSA-N 2 0 419.551 2.228 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879548 721177341 /nfs/dbraw/zinc/17/73/41/721177341.db2.gz TYXWDZQTWBKKRV-NZQKXSOJSA-N 2 0 423.561 2.429 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164762492 721178126 /nfs/dbraw/zinc/17/81/26/721178126.db2.gz CJSZNAXGWSNJOI-RTWAWAEBSA-N 2 0 410.566 2.248 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164766717 721242411 /nfs/dbraw/zinc/24/24/11/721242411.db2.gz VIGCHDIDCLBXEV-NHCUHLMSSA-N 2 0 410.566 2.152 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)c2)CC1 ZINC001164790156 721484390 /nfs/dbraw/zinc/48/43/90/721484390.db2.gz DBFXNGGEPNCKPF-UIFIKXQLSA-N 2 0 424.549 2.107 20 0 HEADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164798114 721571749 /nfs/dbraw/zinc/57/17/49/721571749.db2.gz ADVGIHNZWPQFMX-PQNGQFLHSA-N 2 0 422.577 2.272 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)c2)CC1 ZINC001164904599 721580946 /nfs/dbraw/zinc/58/09/46/721580946.db2.gz RQRDIYPPPDXEAX-QHCPKHFHSA-N 2 0 424.549 2.220 20 0 HEADRP c1nc(CN(c2ccc(C[NH+]3CCCC3)cn2)c2ncccn2)c2n1CCC[NH2+]C2 ZINC001165015592 721766813 /nfs/dbraw/zinc/76/68/13/721766813.db2.gz SFWCQKGJFWVGKF-UHFFFAOYSA-N 2 0 404.522 2.496 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]21 ZINC001165026169 721814309 /nfs/dbraw/zinc/81/43/09/721814309.db2.gz PJFNXVUKKRWDIS-CEWLAPEOSA-N 2 0 407.566 2.018 20 0 HEADRP C[NH+](C)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)C1 ZINC001165036494 721894051 /nfs/dbraw/zinc/89/40/51/721894051.db2.gz RVNZSZMCNWEHHZ-MSOLQXFVSA-N 2 0 417.598 2.411 20 0 HEADRP C[C@H](CCN1CCC[N@H+](C[C@H]2CCCO2)CC1)[NH+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000770172053 1078768456 /nfs/dbraw/zinc/76/84/56/1078768456.db2.gz MSJGQIUKGMFUTI-WXFUMESZSA-N 2 0 422.658 2.138 20 0 HEADRP C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000746146646 1078805799 /nfs/dbraw/zinc/80/57/99/1078805799.db2.gz INZFPVDNGJVXCU-MOPGFXCFSA-N 2 0 415.582 2.290 20 0 HEADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000770770604 1078989307 /nfs/dbraw/zinc/98/93/07/1078989307.db2.gz NCCBXRSHJFGLBV-NHCUHLMSSA-N 2 0 401.555 2.193 20 0 HEADRP COc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1S(=O)(=O)C(F)F ZINC000766457553 1079010787 /nfs/dbraw/zinc/01/07/87/1079010787.db2.gz KXIVARNTJGPTTF-AWEZNQCLSA-N 2 0 419.538 2.368 20 0 HEADRP C[NH+](C)CCCCC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021080 1079138794 /nfs/dbraw/zinc/13/87/94/1079138794.db2.gz UBXXMTGCZLESJE-IRXDYDNUSA-N 2 0 414.616 2.219 20 0 HEADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001169433098 1079300846 /nfs/dbraw/zinc/30/08/46/1079300846.db2.gz RTUMXJYHBXVSLC-UYAOXDASSA-N 2 0 402.583 2.038 20 0 HEADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000739083926 1076039996 /nfs/dbraw/zinc/03/99/96/1076039996.db2.gz BGRRSJFSCTVOOS-UHFFFAOYSA-N 2 0 417.598 2.250 20 0 HEADRP CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000743863494 1077185538 /nfs/dbraw/zinc/18/55/38/1077185538.db2.gz QYEHALHOTXRTOG-HXUWFJFHSA-N 2 0 401.599 2.431 20 0 HEADRP COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000744426058 1077388331 /nfs/dbraw/zinc/38/83/31/1077388331.db2.gz OGMIGWVZYXXNRA-DBRLUCFCSA-N 2 0 417.575 2.420 20 0 HEADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768199371 1080390245 /nfs/dbraw/zinc/39/02/45/1080390245.db2.gz MHKHMUKWTFHIKN-TZIWHRDSSA-N 2 0 418.582 2.028 20 0 HEADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccccc2I)CC1 ZINC000769159808 1080977574 /nfs/dbraw/zinc/97/75/74/1080977574.db2.gz DXTXCVYFAQWACZ-UHFFFAOYSA-N 2 0 415.319 2.181 20 0 HEADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000769512689 1081103629 /nfs/dbraw/zinc/10/36/29/1081103629.db2.gz QWVGFRIOALFSEU-AABGKKOBSA-N 2 0 412.619 2.264 20 0 HEADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164434586 718971186 /nfs/dbraw/zinc/97/11/86/718971186.db2.gz UFCAIWGDUPNRIT-OALUTQOASA-N 2 0 412.456 2.197 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@@H]21 ZINC001164839559 720566061 /nfs/dbraw/zinc/56/60/61/720566061.db2.gz QMRVPSRSVSAULE-FKBYEOEOSA-N 2 0 423.609 2.408 20 0 HEADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164748255 720807959 /nfs/dbraw/zinc/80/79/59/720807959.db2.gz QCLMEDCZCQLHRB-PWRODBHTSA-N 2 0 422.581 2.356 20 0 HEADRP [NH3+]Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757164 720882761 /nfs/dbraw/zinc/88/27/61/720882761.db2.gz TXUTWICDDSGCGI-NZQKXSOJSA-N 2 0 408.550 2.085 20 0 HEADRP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH+]cc21 ZINC001164766081 721186722 /nfs/dbraw/zinc/18/67/22/721186722.db2.gz IWMZGNGEPAWOEQ-IRXDYDNUSA-N 2 0 408.506 2.431 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)c2)CC1 ZINC001164883146 721345806 /nfs/dbraw/zinc/34/58/06/721345806.db2.gz KGLMBGFQUAXCDF-NZQKXSOJSA-N 2 0 414.550 2.066 20 0 HEADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896768 721439598 /nfs/dbraw/zinc/43/95/98/721439598.db2.gz RZBLRZMJTJAQDQ-UPVQGACJSA-N 2 0 413.610 2.441 20 0 HEADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890329 721450482 /nfs/dbraw/zinc/45/04/82/721450482.db2.gz QWJZDPOKSGLASP-UPVQGACJSA-N 2 0 413.610 2.443 20 0 HEADRP COc1cc2cc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2cc1OC ZINC001164798335 721514630 /nfs/dbraw/zinc/51/46/30/721514630.db2.gz SAEPNWCUGDPVNJ-UHFFFAOYSA-N 2 0 422.533 2.216 20 0 HEADRP c1nc(CN(c2ncccn2)c2ncccc2C[NH+]2CCCC2)c2n1CCC[NH2+]C2 ZINC001165015222 721766543 /nfs/dbraw/zinc/76/65/43/721766543.db2.gz OEJLUFHUCOBOEO-UHFFFAOYSA-N 2 0 404.522 2.496 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001165027243 721802070 /nfs/dbraw/zinc/80/20/70/721802070.db2.gz UTBJGZYYGFSZBV-NNWRFLSQSA-N 2 0 421.593 2.360 20 0 HEADRP [NH3+]C1CCN(c2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164955283 722020156 /nfs/dbraw/zinc/02/01/56/722020156.db2.gz DFYIIINITRWFEX-UHFFFAOYSA-N 2 0 407.566 2.292 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000745687738 1078600767 /nfs/dbraw/zinc/60/07/67/1078600767.db2.gz LMNNVYGUCDGGTA-FQEVSTJZSA-N 2 0 413.570 2.133 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000745852594 1078670263 /nfs/dbraw/zinc/67/02/63/1078670263.db2.gz RYATXABTHJNTKZ-LEWJYISDSA-N 2 0 415.582 2.158 20 0 HEADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC000746130916 1078800530 /nfs/dbraw/zinc/80/05/30/1078800530.db2.gz ITKRXPHROREFJT-DEOSSOPVSA-N 2 0 408.546 2.404 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O1)C2 ZINC001169091444 1079138731 /nfs/dbraw/zinc/13/87/31/1079138731.db2.gz RGPSGBCFLVZTKY-BMFAXAFESA-N 2 0 418.513 2.202 20 0 HEADRP CN(C)C(=O)c1cc2c(nc1N(CC1CC1)[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC[NH2+]CC2 ZINC001169139463 1079156285 /nfs/dbraw/zinc/15/62/85/1079156285.db2.gz NCOYBHBPEOJHAS-PMOLBWCYSA-N 2 0 411.594 2.313 20 0 HEADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169172542 1079187360 /nfs/dbraw/zinc/18/73/60/1079187360.db2.gz QARFMBWQRRQBLT-MSOLQXFVSA-N 2 0 420.602 2.093 20 0 HEADRP O=C(c1cncc(NCc2ncn3c2C[NH2+]CCC3)c1)N1CCC([NH+]2CCCC2)CC1 ZINC001169243381 1079209858 /nfs/dbraw/zinc/20/98/58/1079209858.db2.gz JNRHRVDSQXWZTB-UHFFFAOYSA-N 2 0 423.565 2.084 20 0 HEADRP CC[NH+]1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001169244896 1079210206 /nfs/dbraw/zinc/21/02/06/1079210206.db2.gz YDTIFJLLCCLBNK-NRFANRHFSA-N 3 0 410.566 2.484 20 0 HEADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605613 1079343248 /nfs/dbraw/zinc/34/32/48/1079343248.db2.gz LCQWWGWHGFZKCI-VXKWHMMOSA-N 2 0 400.567 2.395 20 0 HEADRP [NH3+]CCc1cn(-c2nccnc2N2CC[NH2+]CC2)c2cc(OC(F)(F)F)ccc12 ZINC001169607116 1079343660 /nfs/dbraw/zinc/34/36/60/1079343660.db2.gz OSRYAZZLJVDOQD-UHFFFAOYSA-N 2 0 406.412 2.230 20 0 HEADRP CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001169694987 1079375075 /nfs/dbraw/zinc/37/50/75/1079375075.db2.gz VHPWJWPPNKNZBE-MQSCRBSSSA-N 2 0 422.614 2.258 20 0 HEADRP CS(=O)(=O)C1CCC([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)CC1 ZINC001169884826 1079458274 /nfs/dbraw/zinc/45/82/74/1079458274.db2.gz JELMTYBHYSVJGX-UHFFFAOYSA-N 2 0 421.607 2.352 20 0 HEADRP CNC(=O)c1ccc(CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2CC2)cc1 ZINC000771753934 1079484346 /nfs/dbraw/zinc/48/43/46/1079484346.db2.gz OEAQJLDNOPVRTJ-JOCHJYFZSA-N 2 0 408.546 2.430 20 0 HEADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739067278 1076035596 /nfs/dbraw/zinc/03/55/96/1076035596.db2.gz MBEBVPJYIBHFQH-UHFFFAOYSA-N 2 0 417.598 2.250 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000740489855 1076171499 /nfs/dbraw/zinc/17/14/99/1076171499.db2.gz BDGUFMBGZXFVFF-LJQANCHMSA-N 2 0 415.582 2.005 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000741685333 1076585579 /nfs/dbraw/zinc/58/55/79/1076585579.db2.gz SMBPWDSOPZKXAN-QGZVFWFLSA-N 2 0 406.502 2.270 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000743413781 1077049447 /nfs/dbraw/zinc/04/94/47/1077049447.db2.gz KKXVFZLOOWKMIS-IBGZPJMESA-N 2 0 415.582 2.004 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767081515 1079652904 /nfs/dbraw/zinc/65/29/04/1079652904.db2.gz QQECFAHURKGQIK-CYBMUJFWSA-N 2 0 409.383 2.425 20 0 HEADRP O[C@H]1CCC[C@H]1[NH+]1CCC(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000767690573 1080041747 /nfs/dbraw/zinc/04/17/47/1080041747.db2.gz RDMSFONNRLWVJH-YADHBBJMSA-N 2 0 416.635 2.493 20 0 HEADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000769391979 1081050306 /nfs/dbraw/zinc/05/03/06/1081050306.db2.gz DWBWSOMSKBRXOR-WOJBJXKFSA-N 2 0 416.566 2.483 20 0 HEADRP CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)CC1 ZINC001164614078 719022650 /nfs/dbraw/zinc/02/26/50/719022650.db2.gz MPYKCTCPMDNUPO-UHFFFAOYSA-N 2 0 407.946 2.020 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)c2)CC1 ZINC001164647478 719305390 /nfs/dbraw/zinc/30/53/90/719305390.db2.gz MJIJMPBQYHSJHA-WGGBDISSSA-N 2 0 414.550 2.161 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CCCO[C@H]4[C@@H](N4CCCC4=O)C3)c2)CC1 ZINC001164647471 719305422 /nfs/dbraw/zinc/30/54/22/719305422.db2.gz MJIJMPBQYHSJHA-KPDCDPCYSA-N 2 0 414.550 2.161 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccnc3)c2)CC1 ZINC001164691416 719775344 /nfs/dbraw/zinc/77/53/44/719775344.db2.gz OOWOTHKQIYBYDQ-LEWJYISDSA-N 2 0 407.518 2.329 20 0 HEADRP Cn1nnc2c1CCN(c1cc(N3CCCC3)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714480 720189587 /nfs/dbraw/zinc/18/95/87/720189587.db2.gz FXQIUIQIYJQLMX-FQEVSTJZSA-N 2 0 411.554 2.027 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834738 720508481 /nfs/dbraw/zinc/50/84/81/720508481.db2.gz HKDKMUGPOSUDTP-TXPKVOOTSA-N 2 0 415.973 2.350 20 0 HEADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742702 720808154 /nfs/dbraw/zinc/80/81/54/720808154.db2.gz DBVZOLRNIKPAAB-SLFFLAALSA-N 2 0 410.570 2.212 20 0 HEADRP c1cn(-c2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)cn1 ZINC001164753526 720853596 /nfs/dbraw/zinc/85/35/96/720853596.db2.gz XBTPHIFTCWPJBV-HMXCVIKNSA-N 2 0 404.522 2.238 20 0 HEADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)[C@@H]2C ZINC001164861400 721014311 /nfs/dbraw/zinc/01/43/11/721014311.db2.gz OJLGOWSTHYVGIO-QGZVFWFLSA-N 2 0 413.570 2.473 20 0 HEADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872286 721125133 /nfs/dbraw/zinc/12/51/33/721125133.db2.gz HGBIMODPFRILAN-YADHBBJMSA-N 2 0 423.561 2.431 20 0 HEADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@@H+]3C2)c1 ZINC001164866789 721189424 /nfs/dbraw/zinc/18/94/24/721189424.db2.gz DBRKKFBHWHIMKI-GMAHTHKFSA-N 2 0 423.561 2.335 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]3C2)cn1 ZINC001164759735 721233092 /nfs/dbraw/zinc/23/30/92/721233092.db2.gz BEKWYRIAMVVWJU-PMACEKPBSA-N 2 0 410.566 2.246 20 0 HEADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164895452 721429936 /nfs/dbraw/zinc/42/99/36/721429936.db2.gz PEBMHEQTPDWKTI-HTAPYJJXSA-N 2 0 420.001 2.146 20 0 HEADRP FC1(F)CCN(c2ncnc3c2CC[NH2+]C3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904314 721693054 /nfs/dbraw/zinc/69/30/54/721693054.db2.gz FMOLLWNHFHBIDJ-HXUWFJFHSA-N 2 0 400.477 2.255 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001165027240 721802137 /nfs/dbraw/zinc/80/21/37/721802137.db2.gz UTBJGZYYGFSZBV-BVSLBCMMSA-N 2 0 421.593 2.360 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c2)CC1 ZINC001164961552 722035233 /nfs/dbraw/zinc/03/52/33/722035233.db2.gz WIIXRPJLIGMREY-QPPBQGQZSA-N 2 0 421.545 2.482 20 0 HEADRP C[NH+]1CCN(c2cccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)n2)CC1 ZINC001164958073 722051378 /nfs/dbraw/zinc/05/13/78/722051378.db2.gz BKNWSNIAZDVART-YYDVJCTNSA-N 2 0 408.550 2.134 20 0 HEADRP Cc1ccc(N2CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2=O)cc1 ZINC000745857810 1078675388 /nfs/dbraw/zinc/67/53/88/1078675388.db2.gz JTNOVYUSLXGJSA-FQEVSTJZSA-N 2 0 403.571 2.015 20 0 HEADRP C[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849873 1079061702 /nfs/dbraw/zinc/06/17/02/1079061702.db2.gz MDYDNRKLCYTSPF-IEBWSBKVSA-N 2 0 418.582 2.208 20 0 HEADRP C[NH+](C)CCCCC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170021081 1079138712 /nfs/dbraw/zinc/13/87/12/1079138712.db2.gz UBXXMTGCZLESJE-SJORKVTESA-N 2 0 414.616 2.219 20 0 HEADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001169433097 1079301043 /nfs/dbraw/zinc/30/10/43/1079301043.db2.gz RTUMXJYHBXVSLC-QUCCMNQESA-N 2 0 402.583 2.038 20 0 HEADRP CC(=O)N1CCC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C1 ZINC001169596486 1079338469 /nfs/dbraw/zinc/33/84/69/1079338469.db2.gz IJHRIUPMCYFMTO-RTWAWAEBSA-N 2 0 424.549 2.011 20 0 HEADRP Cn1c(=O)cc(Nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)n(-c2ccccc2)c1=O ZINC001169961298 1079495481 /nfs/dbraw/zinc/49/54/81/1079495481.db2.gz LRRXQXPWJXSOLQ-UHFFFAOYSA-N 2 0 419.529 2.451 20 0 HEADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H](CCO)c1cccs1 ZINC000741083048 1076357448 /nfs/dbraw/zinc/35/74/48/1076357448.db2.gz RRVHCODFOCKYAQ-SFHVURJKSA-N 2 0 403.552 2.078 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000737464385 1076858897 /nfs/dbraw/zinc/85/88/97/1076858897.db2.gz YAYMBKQVIRSOEQ-LJQANCHMSA-N 2 0 419.639 2.108 20 0 HEADRP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000743080145 1076946501 /nfs/dbraw/zinc/94/65/01/1076946501.db2.gz SYNYTKCQNAHMQK-HXUWFJFHSA-N 2 0 416.614 2.224 20 0 HEADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000743946863 1077276922 /nfs/dbraw/zinc/27/69/22/1077276922.db2.gz LSBIJHNPZPQETA-OAQYLSRUSA-N 2 0 416.566 2.227 20 0 HEADRP CCN(CC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744430035 1077390837 /nfs/dbraw/zinc/39/08/37/1077390837.db2.gz SLBDDFHKBJDWJL-SFHVURJKSA-N 2 0 424.586 2.035 20 0 HEADRP CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](CO)C2CC2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000771817719 1079546337 /nfs/dbraw/zinc/54/63/37/1079546337.db2.gz IDZGMDAAAJMLPI-AWEZNQCLSA-N 2 0 423.579 2.383 20 0 HEADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768215901 1080417991 /nfs/dbraw/zinc/41/79/91/1080417991.db2.gz DIZIDSVKMUJUOU-RBBKRZOGSA-N 2 0 418.582 2.030 20 0 HEADRP CCOC(=O)C1=C(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@@H]1C ZINC000787299526 1081097324 /nfs/dbraw/zinc/09/73/24/1081097324.db2.gz INDASOWCZHGTKM-WOYCLPQFSA-N 2 0 414.550 2.251 20 0 HEADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164433481 718971458 /nfs/dbraw/zinc/97/14/58/718971458.db2.gz LQBSOVSDKWFSBY-RBUKOAKNSA-N 2 0 412.456 2.199 20 0 HEADRP O=C(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH2+]CC1 ZINC001164628997 719086777 /nfs/dbraw/zinc/08/67/77/719086777.db2.gz PQGUBVYBNLWHFE-IFMALSPDSA-N 2 0 405.546 2.228 20 0 HEADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164813737 720190343 /nfs/dbraw/zinc/19/03/43/720190343.db2.gz DVTZIRAWRJCKCR-REWPJTCUSA-N 2 0 415.582 2.040 20 0 HEADRP CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]21 ZINC001164828533 720424878 /nfs/dbraw/zinc/42/48/78/720424878.db2.gz WYQUJLDHELVGPW-LQWHRVPQSA-N 2 0 416.566 2.168 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@@H]21 ZINC001164843570 720581222 /nfs/dbraw/zinc/58/12/22/720581222.db2.gz YFCWXLWWLSJZGI-HJNYFJLDSA-N 2 0 409.582 2.066 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2)CC1 ZINC001164736123 720591708 /nfs/dbraw/zinc/59/17/08/720591708.db2.gz DGDSKUQUDHZRGH-UHFFFAOYSA-N 3 0 410.566 2.410 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879552 721177958 /nfs/dbraw/zinc/17/79/58/721177958.db2.gz TYXWDZQTWBKKRV-REWPJTCUSA-N 2 0 423.561 2.429 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]3C2)cn1 ZINC001164759738 721233520 /nfs/dbraw/zinc/23/35/20/721233520.db2.gz BEKWYRIAMVVWJU-WOJBJXKFSA-N 2 0 410.566 2.246 20 0 HEADRP FC1(F)CCN(c2ncnc3c2CC[NH2+]CC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906156 721583915 /nfs/dbraw/zinc/58/39/15/721583915.db2.gz ZDKHNDOSSKDHPU-OAQYLSRUSA-N 2 0 414.504 2.298 20 0 HEADRP CC(C)N(C)Cc1nnc2n1CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001165012001 721719710 /nfs/dbraw/zinc/71/97/10/721719710.db2.gz YCZOSRVNBUMXDV-UHFFFAOYSA-N 2 0 413.570 2.397 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746099469 1078794059 /nfs/dbraw/zinc/79/40/59/1078794059.db2.gz UVEFDNKSJDIEJE-XMMPIXPASA-N 2 0 408.546 2.404 20 0 HEADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000770770606 1078989745 /nfs/dbraw/zinc/98/97/45/1078989745.db2.gz NCCBXRSHJFGLBV-SFTDATJTSA-N 2 0 401.555 2.193 20 0 HEADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831683 1079048417 /nfs/dbraw/zinc/04/84/17/1079048417.db2.gz XGWYPXBHFMENLE-MSOLQXFVSA-N 2 0 408.587 2.451 20 0 HEADRP C[C@@H]1C[C@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849874 1079061724 /nfs/dbraw/zinc/06/17/24/1079061724.db2.gz MDYDNRKLCYTSPF-MJGOQNOKSA-N 2 0 418.582 2.208 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[NH+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131600 1079151595 /nfs/dbraw/zinc/15/15/95/1079151595.db2.gz WHBIHSIIFRPUSH-OUMCCJGNSA-N 3 0 423.605 2.111 20 0 HEADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001169554157 1079330504 /nfs/dbraw/zinc/33/05/04/1079330504.db2.gz HWWRVTXIWHYIFR-IPJJNNNSSA-N 2 0 413.603 2.475 20 0 HEADRP CS(=O)(=O)C1CCC([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)CC1 ZINC001169885323 1079458806 /nfs/dbraw/zinc/45/88/06/1079458806.db2.gz QNJJDTYQRFOAMX-UHFFFAOYSA-N 2 0 421.607 2.352 20 0 HEADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)C1 ZINC000743993157 1077284700 /nfs/dbraw/zinc/28/47/00/1077284700.db2.gz NRZZDCUEWYYALG-OAQYLSRUSA-N 2 0 415.582 2.098 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC[NH+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650964 1080101477 /nfs/dbraw/zinc/10/14/77/1080101477.db2.gz GEYKXWYKFROHNA-ICSRJNTNSA-N 2 0 405.514 2.134 20 0 HEADRP CC[N@H+](CCO)CCNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000769232317 1081010484 /nfs/dbraw/zinc/01/04/84/1081010484.db2.gz LQTQJSHCDDWBQL-UHFFFAOYSA-N 2 0 419.570 2.327 20 0 HEADRP CC1(C)CC([N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC(C)(C)N1O ZINC001170001933 1081011182 /nfs/dbraw/zinc/01/11/82/1081011182.db2.gz NBICHWHCXQAKHE-UHFFFAOYSA-N 2 0 403.571 2.456 20 0 HEADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000769514905 1081104273 /nfs/dbraw/zinc/10/42/73/1081104273.db2.gz CDRLEIZYXTULMH-HBFSDRIKSA-N 2 0 410.603 2.159 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000769514911 1081104303 /nfs/dbraw/zinc/10/43/03/1081104303.db2.gz CDRLEIZYXTULMH-QWFCFKBJSA-N 2 0 410.603 2.159 20 0 HEADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164433480 718972010 /nfs/dbraw/zinc/97/20/10/718972010.db2.gz LQBSOVSDKWFSBY-OALUTQOASA-N 2 0 412.456 2.199 20 0 HEADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)cs1 ZINC001164692807 719805425 /nfs/dbraw/zinc/80/54/25/719805425.db2.gz PQFKKOUDLUAGLD-UHFFFAOYSA-N 2 0 413.595 2.286 20 0 HEADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164711626 720094501 /nfs/dbraw/zinc/09/45/01/720094501.db2.gz RUTDSBVNQQRSMQ-FQEVSTJZSA-N 2 0 422.577 2.067 20 0 HEADRP c1cn(-c2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)cn1 ZINC001164753524 720853431 /nfs/dbraw/zinc/85/34/31/720853431.db2.gz XBTPHIFTCWPJBV-CEWLAPEOSA-N 2 0 404.522 2.238 20 0 HEADRP CCN1C(=O)[C@]2(CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]32)N=C1C ZINC001164872629 721234032 /nfs/dbraw/zinc/23/40/32/721234032.db2.gz NHRHWQAIFGJCFP-KPDCDPCYSA-N 2 0 411.550 2.420 20 0 HEADRP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164910287 721548289 /nfs/dbraw/zinc/54/82/89/721548289.db2.gz UCPSXWXQDSHIOC-CTNGQTDRSA-N 2 0 411.525 2.490 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165022198 721804684 /nfs/dbraw/zinc/80/46/84/721804684.db2.gz IGSMUJFMTQJJQU-HLAWJBBLSA-N 2 0 407.566 2.018 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000745687740 1078600856 /nfs/dbraw/zinc/60/08/56/1078600856.db2.gz LMNNVYGUCDGGTA-HXUWFJFHSA-N 2 0 413.570 2.133 20 0 HEADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000745824114 1078664814 /nfs/dbraw/zinc/66/48/14/1078664814.db2.gz GDZRXVCLJAUCOR-NRFANRHFSA-N 2 0 400.567 2.028 20 0 HEADRP COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000065441877 1078889269 /nfs/dbraw/zinc/88/92/69/1078889269.db2.gz ORNLUIOJXDZOLO-HXUWFJFHSA-N 2 0 417.598 2.237 20 0 HEADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831685 1079048519 /nfs/dbraw/zinc/04/85/19/1079048519.db2.gz XGWYPXBHFMENLE-QZTJIDSGSA-N 2 0 408.587 2.451 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CO[C@@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093564 1079127158 /nfs/dbraw/zinc/12/71/58/1079127158.db2.gz IOBBDIMLKHETQT-KSSXRGRSSA-N 2 0 409.571 2.244 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O1)C2 ZINC001169091445 1079138686 /nfs/dbraw/zinc/13/86/86/1079138686.db2.gz RGPSGBCFLVZTKY-ZMMAXQRCSA-N 2 0 418.513 2.202 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCO[C@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129853 1079150066 /nfs/dbraw/zinc/15/00/66/1079150066.db2.gz KURLUCOJSNWRJU-VQQMMKBISA-N 2 0 409.571 2.340 20 0 HEADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170022006 1079158141 /nfs/dbraw/zinc/15/81/41/1079158141.db2.gz LJPVROFADWWECR-CVEARBPZSA-N 2 0 414.616 2.075 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CO1 ZINC001169392359 1079262268 /nfs/dbraw/zinc/26/22/68/1079262268.db2.gz PWFMWCKYOVYGHZ-SFTDATJTSA-N 2 0 402.535 2.464 20 0 HEADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000740493890 1076173484 /nfs/dbraw/zinc/17/34/84/1076173484.db2.gz KRINWEXHJSDVLF-UHFFFAOYSA-N 2 0 417.598 2.107 20 0 HEADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000741084971 1076349455 /nfs/dbraw/zinc/34/94/55/1076349455.db2.gz LCMUSQLTUGAAMX-QZTJIDSGSA-N 2 0 413.607 2.157 20 0 HEADRP C[NH+]1CCN(c2ccccc2NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000741266708 1076437040 /nfs/dbraw/zinc/43/70/40/1076437040.db2.gz OZGJDHCMMPQCFN-DEOSSOPVSA-N 2 0 423.561 2.197 20 0 HEADRP CC[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000743413077 1077048807 /nfs/dbraw/zinc/04/88/07/1077048807.db2.gz ZQRLBAULWZRIAC-QFIPXVFZSA-N 2 0 400.567 2.202 20 0 HEADRP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[NH+]1CCC(C)CC1 ZINC000743413111 1077048959 /nfs/dbraw/zinc/04/89/59/1077048959.db2.gz AVFHTLBCZDEHKG-LJQANCHMSA-N 2 0 415.582 2.004 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[NH+](C)Cc2ccc(F)cc2)CC1=O ZINC000785651010 1080100380 /nfs/dbraw/zinc/10/03/80/1080100380.db2.gz GEYKXWYKFROHNA-UYAOXDASSA-N 2 0 405.514 2.134 20 0 HEADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)CC1 ZINC000786112959 1080405799 /nfs/dbraw/zinc/40/57/99/1080405799.db2.gz KIIUEZSUKSUAPA-UHFFFAOYSA-N 2 0 416.566 2.225 20 0 HEADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786825447 1080846401 /nfs/dbraw/zinc/84/64/01/1080846401.db2.gz GOAWQWLIZIKHMT-QGZVFWFLSA-N 2 0 409.534 2.358 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000769518511 1081105511 /nfs/dbraw/zinc/10/55/11/1081105511.db2.gz GGUOJIKLDCNFSO-QWFCFKBJSA-N 2 0 411.587 2.491 20 0 HEADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164433482 718971682 /nfs/dbraw/zinc/97/16/82/718971682.db2.gz LQBSOVSDKWFSBY-RTBURBONSA-N 2 0 412.456 2.199 20 0 HEADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164711161 720104816 /nfs/dbraw/zinc/10/48/16/720104816.db2.gz OTWOQUCULPBSRM-LJQANCHMSA-N 2 0 408.550 2.025 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843571 720579836 /nfs/dbraw/zinc/57/98/36/720579836.db2.gz YFCWXLWWLSJZGI-ILWGZMRPSA-N 2 0 409.582 2.066 20 0 HEADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164748253 720808181 /nfs/dbraw/zinc/80/81/81/720808181.db2.gz QCLMEDCZCQLHRB-PCCBWWKXSA-N 2 0 422.581 2.356 20 0 HEADRP c1cn(-c2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)cn1 ZINC001164753525 720853711 /nfs/dbraw/zinc/85/37/11/720853711.db2.gz XBTPHIFTCWPJBV-HLAWJBBLSA-N 2 0 404.522 2.238 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164771617 721103179 /nfs/dbraw/zinc/10/31/79/721103179.db2.gz SHCZYLYSWLEFHG-MSOLQXFVSA-N 2 0 415.973 2.289 20 0 HEADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)O2)CC1 ZINC001164890330 721450422 /nfs/dbraw/zinc/45/04/22/721450422.db2.gz QWJZDPOKSGLASP-VWNXMTODSA-N 2 0 413.610 2.443 20 0 HEADRP c1cnc(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@@H]23)c2cccc(OCC[NH+]3CCCC3)n2)nc1 ZINC001164793134 721483991 /nfs/dbraw/zinc/48/39/91/721483991.db2.gz SLAFRVIPBPOZKA-AQNXPRMDSA-N 2 0 424.549 2.109 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4nccn4C[C@H](Cn4cccn4)C3)c2)CC1 ZINC001164895320 721487811 /nfs/dbraw/zinc/48/78/11/721487811.db2.gz LAVHMJTZEODZLR-SFHVURJKSA-N 2 0 407.522 2.284 20 0 HEADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905817 721543509 /nfs/dbraw/zinc/54/35/09/721543509.db2.gz IONRWWDYSQXYDR-CTNGQTDRSA-N 2 0 411.525 2.314 20 0 HEADRP CCOC(=O)c1c[nH]c2cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)[nH+]cc21 ZINC001165010444 721743719 /nfs/dbraw/zinc/74/37/19/721743719.db2.gz MLLPWDQYRSGMJR-UHFFFAOYSA-N 2 0 413.522 2.263 20 0 HEADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC001165012910 721748460 /nfs/dbraw/zinc/74/84/60/721748460.db2.gz REGFLTXSDLKKNO-UHFFFAOYSA-N 3 0 415.582 2.078 20 0 HEADRP c1cc(C[N@@H+]2CCOCC3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2)ccn1 ZINC001164963377 722058193 /nfs/dbraw/zinc/05/81/93/722058193.db2.gz XRTCPSAAEUPTOC-UHFFFAOYSA-N 2 0 422.577 2.458 20 0 HEADRP [NH3+][C@@H]1CCc2nn(-c3cc(N4CCC[C@@H]([NH3+])C4)nc(Oc4ccccc4)n3)cc2C1 ZINC001168810814 1079044467 /nfs/dbraw/zinc/04/44/67/1079044467.db2.gz CJRSSGDWXHVARX-IAGOWNOFSA-N 2 0 405.506 2.198 20 0 HEADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831688 1079048523 /nfs/dbraw/zinc/04/85/23/1079048523.db2.gz XGWYPXBHFMENLE-ZWKOTPCHSA-N 2 0 408.587 2.451 20 0 HEADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001168839602 1079050414 /nfs/dbraw/zinc/05/04/14/1079050414.db2.gz VNDCRXXUGJPQIF-QFIPXVFZSA-N 2 0 412.619 2.095 20 0 HEADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168902420 1079070549 /nfs/dbraw/zinc/07/05/49/1079070549.db2.gz BCKWQQXMQWSGMG-PKOBYXMFSA-N 2 0 420.554 2.366 20 0 HEADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169313126 1079225371 /nfs/dbraw/zinc/22/53/71/1079225371.db2.gz KREHGBKYAOXFIN-ZWKOTPCHSA-N 2 0 413.559 2.020 20 0 HEADRP CCOC(=O)N1CCC[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001169694190 1079374428 /nfs/dbraw/zinc/37/44/28/1079374428.db2.gz OYCKATXGTFMLSU-PWRODBHTSA-N 2 0 420.598 2.405 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739085738 1076041721 /nfs/dbraw/zinc/04/17/21/1076041721.db2.gz IFUUNKXNHMJONR-NRFANRHFSA-N 2 0 415.582 2.004 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000743188374 1077002369 /nfs/dbraw/zinc/00/23/69/1077002369.db2.gz NUNMZRWQVBCHNC-FQEVSTJZSA-N 2 0 413.570 2.401 20 0 HEADRP CCC[C@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000766320008 1077441551 /nfs/dbraw/zinc/44/15/51/1077441551.db2.gz LJVNFDNGLZPQHE-IBGZPJMESA-N 2 0 403.571 2.403 20 0 HEADRP O=C(C[C@@H](O)c1ccc(Cl)cc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000772629880 1079989957 /nfs/dbraw/zinc/98/99/57/1079989957.db2.gz QQAUBAGRLNZELS-HXUWFJFHSA-N 2 0 402.926 2.487 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000769518512 1081105449 /nfs/dbraw/zinc/10/54/49/1081105449.db2.gz GGUOJIKLDCNFSO-WSTZPKSXSA-N 2 0 411.587 2.491 20 0 HEADRP CCOC(=O)C1CC[NH+](C2CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)CC1 ZINC001164617356 719028651 /nfs/dbraw/zinc/02/86/51/719028651.db2.gz KKCAXHYAAIIORR-UHFFFAOYSA-N 2 0 415.582 2.077 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@H]43)c2)CC1 ZINC001164678692 719544480 /nfs/dbraw/zinc/54/44/80/719544480.db2.gz MLIKQCUBGWVXTD-UIFIKXQLSA-N 2 0 414.550 2.161 20 0 HEADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164838228 720658976 /nfs/dbraw/zinc/65/89/76/720658976.db2.gz GLWRNLVVJUREKY-FQEVSTJZSA-N 2 0 407.562 2.425 20 0 HEADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)[C@H]2C ZINC001164861399 721013870 /nfs/dbraw/zinc/01/38/70/721013870.db2.gz OJLGOWSTHYVGIO-KRWDZBQOSA-N 2 0 413.570 2.473 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)c2)CC1 ZINC001164883145 721345138 /nfs/dbraw/zinc/34/51/38/721345138.db2.gz KGLMBGFQUAXCDF-NFBKMPQASA-N 2 0 414.550 2.066 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1ccnc1C ZINC000745734175 1078620446 /nfs/dbraw/zinc/62/04/46/1078620446.db2.gz KWLIPJKQHUVHDZ-HXUWFJFHSA-N 2 0 413.570 2.133 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000745802682 1078653479 /nfs/dbraw/zinc/65/34/79/1078653479.db2.gz UDMPUOROBONQQN-YLJYHZDGSA-N 2 0 415.582 2.324 20 0 HEADRP O=C(C[N@H+]1CC[C@H](CO)C1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000746461991 1079014633 /nfs/dbraw/zinc/01/46/33/1079014633.db2.gz IZEFEZBYKHUAKJ-NRFANRHFSA-N 2 0 408.546 2.262 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139977 1079143154 /nfs/dbraw/zinc/14/31/54/1079143154.db2.gz PGPXWDPAJHBPSH-MILMJNAHSA-N 2 0 413.595 2.329 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131813 1079151196 /nfs/dbraw/zinc/15/11/96/1079151196.db2.gz ZTSFIOHPQDODEV-PMOLBWCYSA-N 2 0 420.598 2.403 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[NH+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131599 1079151454 /nfs/dbraw/zinc/15/14/54/1079151454.db2.gz WHBIHSIIFRPUSH-MTQWNXOMSA-N 3 0 423.605 2.111 20 0 HEADRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc(C(=O)NC2CC[NH+](C)CC2)nn1 ZINC001169174253 1079188646 /nfs/dbraw/zinc/18/86/46/1079188646.db2.gz BMARMZUVCGRLEY-UHFFFAOYSA-N 2 0 422.533 2.063 20 0 HEADRP C[C@H]([NH3+])c1ccn(-c2nc(C[N@@H+]3CC[C@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229988 1079204255 /nfs/dbraw/zinc/20/42/55/1079204255.db2.gz NEPFHQZMDJFMKB-GJZGRUSLSA-N 2 0 400.527 2.086 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CO1 ZINC001169396735 1079268693 /nfs/dbraw/zinc/26/86/93/1079268693.db2.gz LYKNZJMPEBWBQC-LMYCIYFBSA-N 2 0 424.582 2.077 20 0 HEADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000771325919 1079287756 /nfs/dbraw/zinc/28/77/56/1079287756.db2.gz XHWMUZCDFOYYJZ-FQEVSTJZSA-N 2 0 418.557 2.073 20 0 HEADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001169433096 1079300956 /nfs/dbraw/zinc/30/09/56/1079300956.db2.gz RTUMXJYHBXVSLC-ICSRJNTNSA-N 2 0 402.583 2.038 20 0 HEADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001169554155 1079330485 /nfs/dbraw/zinc/33/04/85/1079330485.db2.gz HWWRVTXIWHYIFR-DXIQSLLYSA-N 2 0 413.603 2.475 20 0 HEADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169609055 1079344666 /nfs/dbraw/zinc/34/46/66/1079344666.db2.gz HQHXNQAFLXZJAO-VXKWHMMOSA-N 2 0 407.599 2.227 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169884147 1079457583 /nfs/dbraw/zinc/45/75/83/1079457583.db2.gz YIZSMAUQDWNHRA-KBWCOIMZSA-N 2 0 421.607 2.493 20 0 HEADRP O[C@H]1CCC[C@@H]1[NH+]1CCC(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000767690569 1080041600 /nfs/dbraw/zinc/04/16/00/1080041600.db2.gz RDMSFONNRLWVJH-VXKWHMMOSA-N 2 0 416.635 2.493 20 0 HEADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000785565698 1080080172 /nfs/dbraw/zinc/08/01/72/1080080172.db2.gz KGROLZALAOAQHD-QGZVFWFLSA-N 2 0 420.985 2.411 20 0 HEADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786825332 1080846432 /nfs/dbraw/zinc/84/64/32/1080846432.db2.gz CNELVEZHRQFALK-IBGZPJMESA-N 2 0 423.565 2.259 20 0 HEADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787194303 1081058185 /nfs/dbraw/zinc/05/81/85/1081058185.db2.gz ZLRSSZKZWJRPJS-UHFFFAOYSA-N 2 0 400.567 2.230 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4ccnn4C[C@@H](C(=O)N4CCCC4)C3)c2)CC1 ZINC001164820199 720268072 /nfs/dbraw/zinc/26/80/72/720268072.db2.gz VAXSULVNGPXEFG-SFHVURJKSA-N 2 0 424.549 2.010 20 0 HEADRP CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]21 ZINC001164828535 720424334 /nfs/dbraw/zinc/42/43/34/720424334.db2.gz WYQUJLDHELVGPW-OPYAIIAOSA-N 2 0 416.566 2.168 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@@H]21 ZINC001164843569 720581129 /nfs/dbraw/zinc/58/11/29/720581129.db2.gz YFCWXLWWLSJZGI-BVSLBCMMSA-N 2 0 409.582 2.066 20 0 HEADRP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(N2CCCC2)[nH+]1 ZINC001164743460 720813268 /nfs/dbraw/zinc/81/32/68/720813268.db2.gz GCECZVJZXUYKSV-PCCBWWKXSA-N 2 0 422.581 2.356 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)c2)CC1 ZINC001164852424 720814246 /nfs/dbraw/zinc/81/42/46/720814246.db2.gz NQUBRNVSBLIJBB-GHTZIAJQSA-N 2 0 407.518 2.044 20 0 HEADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896766 721439454 /nfs/dbraw/zinc/43/94/54/721439454.db2.gz RZBLRZMJTJAQDQ-LADGPHEKSA-N 2 0 413.610 2.441 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)c2)CC1 ZINC001164790167 721484569 /nfs/dbraw/zinc/48/45/69/721484569.db2.gz DBFXNGGEPNCKPF-YYWHXJBOSA-N 2 0 424.549 2.107 20 0 HEADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[N@@H+]3C2)c1 ZINC001164896835 721510530 /nfs/dbraw/zinc/51/05/30/721510530.db2.gz BNNLAWPZOVWMPT-ZBFHGGJFSA-N 2 0 403.889 2.257 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)c2)CC1 ZINC001164904597 721580768 /nfs/dbraw/zinc/58/07/68/721580768.db2.gz RQRDIYPPPDXEAX-HSZRJFAPSA-N 2 0 424.549 2.220 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165022202 721804680 /nfs/dbraw/zinc/80/46/80/721804680.db2.gz IGSMUJFMTQJJQU-HMXCVIKNSA-N 2 0 407.566 2.018 20 0 HEADRP C[NH+]1CCN(c2cccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)n2)CC1 ZINC001164958070 722051436 /nfs/dbraw/zinc/05/14/36/722051436.db2.gz BKNWSNIAZDVART-PWHSHALESA-N 2 0 408.550 2.134 20 0 HEADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@@H]3C2)c1 ZINC001164984588 722133674 /nfs/dbraw/zinc/13/36/74/722133674.db2.gz XJCSHWTVYXMBNM-NHCUHLMSSA-N 2 0 409.534 2.041 20 0 HEADRP C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc3c1CC[NH2+]C3)CCC2 ZINC001165001636 722255482 /nfs/dbraw/zinc/25/54/82/722255482.db2.gz DRWQTXYUYAULSI-UHFFFAOYSA-N 2 0 404.946 2.066 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(Cc2ccccc2)no1 ZINC000745781602 1078639707 /nfs/dbraw/zinc/63/97/07/1078639707.db2.gz QWZBJRMGROETGD-IBGZPJMESA-N 2 0 414.554 2.218 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(Cc2ccccc2)no1 ZINC000745781603 1078640232 /nfs/dbraw/zinc/64/02/32/1078640232.db2.gz QWZBJRMGROETGD-LJQANCHMSA-N 2 0 414.554 2.218 20 0 HEADRP Cc1ccc(N2CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2=O)cc1 ZINC000745878213 1078681675 /nfs/dbraw/zinc/68/16/75/1078681675.db2.gz HUQMHUPIZMWTNH-OAQYLSRUSA-N 2 0 417.598 2.405 20 0 HEADRP CN(CC[N@H+](C)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C1CC[NH+](C)CC1 ZINC001168894483 1079063784 /nfs/dbraw/zinc/06/37/84/1079063784.db2.gz QWMCOTBYFZAFNB-REWPJTCUSA-N 2 0 424.630 2.360 20 0 HEADRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168920105 1079075965 /nfs/dbraw/zinc/07/59/65/1079075965.db2.gz LOFAXXHWFRQYEL-OAQYLSRUSA-N 2 0 402.583 2.146 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139980 1079144038 /nfs/dbraw/zinc/14/40/38/1079144038.db2.gz PGPXWDPAJHBPSH-NADOGSGZSA-N 2 0 413.595 2.329 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C1)C2 ZINC001169141226 1079163409 /nfs/dbraw/zinc/16/34/09/1079163409.db2.gz VWIZWOVXFHUZQR-UKIRVEGOSA-N 2 0 412.578 2.093 20 0 HEADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169609054 1079344614 /nfs/dbraw/zinc/34/46/14/1079344614.db2.gz HQHXNQAFLXZJAO-FGZHOGPDSA-N 2 0 407.599 2.227 20 0 HEADRP CCOC(=O)N1CCC[C@H]([NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)CC1 ZINC001169694156 1079374357 /nfs/dbraw/zinc/37/43/57/1079374357.db2.gz OTILTFBNWGHXEP-IBGZPJMESA-N 2 0 408.587 2.262 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738367839 1075991461 /nfs/dbraw/zinc/99/14/61/1075991461.db2.gz YXDYPNPHPCADCI-ZDUSSCGKSA-N 2 0 409.383 2.425 20 0 HEADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000739035407 1076032124 /nfs/dbraw/zinc/03/21/24/1076032124.db2.gz OENPIPDYBPPBSS-QGZVFWFLSA-N 2 0 409.962 2.324 20 0 HEADRP C[NH+]1CCN(c2ccccc2NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000741266710 1076437083 /nfs/dbraw/zinc/43/70/83/1076437083.db2.gz OZGJDHCMMPQCFN-XMMPIXPASA-N 2 0 423.561 2.197 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2)CC1 ZINC000743079260 1076946102 /nfs/dbraw/zinc/94/61/02/1076946102.db2.gz QDAWQMVPBXCDJX-NRFANRHFSA-N 2 0 403.571 2.403 20 0 HEADRP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000743942869 1077237595 /nfs/dbraw/zinc/23/75/95/1077237595.db2.gz MBJDXJYSKIUULU-UHFFFAOYSA-N 2 0 415.582 2.005 20 0 HEADRP COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000744426060 1077388393 /nfs/dbraw/zinc/38/83/93/1077388393.db2.gz OGMIGWVZYXXNRA-IAFWPLRWSA-N 2 0 417.575 2.420 20 0 HEADRP O=C(C[NH2+][C@H](CO)C1CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000771801956 1079536745 /nfs/dbraw/zinc/53/67/45/1079536745.db2.gz KAZBPNNHFAXYNW-HSZRJFAPSA-N 2 0 408.546 2.308 20 0 HEADRP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000769317292 1081040969 /nfs/dbraw/zinc/04/09/69/1081040969.db2.gz ONHMRBRZPRSJEH-UHFFFAOYSA-N 2 0 408.587 2.264 20 0 HEADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787193230 1081057912 /nfs/dbraw/zinc/05/79/12/1081057912.db2.gz PRAWXJJTGXTHQO-UHFFFAOYSA-N 2 0 404.599 2.423 20 0 HEADRP O=C(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH2+]CC1 ZINC001164629000 719086853 /nfs/dbraw/zinc/08/68/53/719086853.db2.gz PQGUBVYBNLWHFE-UNMCSNQZSA-N 2 0 405.546 2.228 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccnc3)c2)CC1 ZINC001164691417 719774866 /nfs/dbraw/zinc/77/48/66/719774866.db2.gz OOWOTHKQIYBYDQ-NHCUHLMSSA-N 2 0 407.518 2.329 20 0 HEADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164714962 720157360 /nfs/dbraw/zinc/15/73/60/720157360.db2.gz RVUAWPQZXBGUDV-HXUWFJFHSA-N 2 0 408.550 2.066 20 0 HEADRP CC(C)Oc1cc[nH+]c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164719227 720186228 /nfs/dbraw/zinc/18/62/28/720186228.db2.gz VDMQQCWRIJEWKU-LJQANCHMSA-N 2 0 400.527 2.214 20 0 HEADRP Cc1cc(N2CCCC2)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164817825 720284981 /nfs/dbraw/zinc/28/49/81/720284981.db2.gz GBBIRRRQPDIMPO-PMACEKPBSA-N 2 0 412.582 2.297 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164836519 720518005 /nfs/dbraw/zinc/51/80/05/720518005.db2.gz MVWNZFXOKNFVQK-BXWFABGCSA-N 2 0 415.973 2.350 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CCOCC4)[nH+]3)CC[C@@H]21 ZINC001164842870 720578638 /nfs/dbraw/zinc/57/86/38/720578638.db2.gz WCTNLMMWCNSCLH-HKBOAZHASA-N 2 0 410.566 2.493 20 0 HEADRP C[C@H]1CCCN1C(=O)c1nn(-c2cccc(OCC[NH+]3CCCC3)n2)c2c1C[NH2+]CC2 ZINC001164852677 720805541 /nfs/dbraw/zinc/80/55/41/720805541.db2.gz OHWJQMFIMKZDND-KRWDZBQOSA-N 2 0 424.549 2.012 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165022206 721804610 /nfs/dbraw/zinc/80/46/10/721804610.db2.gz IGSMUJFMTQJJQU-SESVDKBCSA-N 2 0 407.566 2.018 20 0 HEADRP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)c1 ZINC001164955252 722022287 /nfs/dbraw/zinc/02/22/87/722022287.db2.gz BZUUWXKUYULJQK-UHFFFAOYSA-N 2 0 408.550 2.495 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c2)CC1 ZINC001164961557 722035084 /nfs/dbraw/zinc/03/50/84/722035084.db2.gz WIIXRPJLIGMREY-ZJSXRUAMSA-N 2 0 421.545 2.482 20 0 HEADRP c1cc(N2CCOCC2)[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164962320 722058512 /nfs/dbraw/zinc/05/85/12/722058512.db2.gz QVFRNXXBHFSPDV-UHFFFAOYSA-N 2 0 423.561 2.432 20 0 HEADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170010377 1078553566 /nfs/dbraw/zinc/55/35/66/1078553566.db2.gz DLMDOPYOCCJEON-IRXDYDNUSA-N 2 0 414.616 2.219 20 0 HEADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000769964151 1078655526 /nfs/dbraw/zinc/65/55/26/1078655526.db2.gz XQOIMCXTKHXCRW-GOSISDBHSA-N 2 0 400.567 2.457 20 0 HEADRP CC[NH+](CC)CCNC(=O)c1cc(-n2nnc3ccc(C[NH3+])cc32)nc2ccccc21 ZINC001170016565 1078950192 /nfs/dbraw/zinc/95/01/92/1078950192.db2.gz GWSRVMRMQDYDCK-UHFFFAOYSA-N 2 0 417.517 2.499 20 0 HEADRP [NH3+][C@@H]1CCc2nn(-c3cc(N4CCC[C@H]([NH3+])C4)nc(Oc4ccccc4)n3)cc2C1 ZINC001168810818 1079044385 /nfs/dbraw/zinc/04/43/85/1079044385.db2.gz CJRSSGDWXHVARX-SJORKVTESA-N 2 0 405.506 2.198 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C1)C2 ZINC001170020683 1079110876 /nfs/dbraw/zinc/11/08/76/1079110876.db2.gz QURJZUOWEWUUAE-SFFUCWETSA-N 2 0 424.611 2.112 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[NH+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131601 1079151324 /nfs/dbraw/zinc/15/13/24/1079151324.db2.gz WHBIHSIIFRPUSH-WTEVXDJOSA-N 3 0 423.605 2.111 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133471 1079152213 /nfs/dbraw/zinc/15/22/13/1079152213.db2.gz GVLXIMVWXRFUHP-UKIRVEGOSA-N 2 0 412.578 2.093 20 0 HEADRP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CO1 ZINC001169392355 1079262527 /nfs/dbraw/zinc/26/25/27/1079262527.db2.gz PWFMWCKYOVYGHZ-NHCUHLMSSA-N 2 0 402.535 2.464 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)CO1 ZINC001169391984 1079262551 /nfs/dbraw/zinc/26/25/51/1079262551.db2.gz MJHIEZPQUWHMAF-SFTDATJTSA-N 2 0 417.550 2.107 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000771359975 1079303392 /nfs/dbraw/zinc/30/33/92/1079303392.db2.gz VFFLIANFWRXZBY-WQMHRJNTSA-N 2 0 417.598 2.269 20 0 HEADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739082350 1076039783 /nfs/dbraw/zinc/03/97/83/1076039783.db2.gz SFZONUYGCHWYEG-GOSISDBHSA-N 2 0 417.598 2.250 20 0 HEADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739084032 1076041677 /nfs/dbraw/zinc/04/16/77/1076041677.db2.gz CNUPROLDQMOVAZ-SFHVURJKSA-N 2 0 417.598 2.250 20 0 HEADRP CCOC(=O)N1CCC[NH+](CCCCC[N@H+]2CCCN(C(=O)OCC)CC2)CC1 ZINC000740875480 1076277607 /nfs/dbraw/zinc/27/76/07/1076277607.db2.gz CVEMVFFEMUQJMW-UHFFFAOYSA-N 2 0 412.575 2.485 20 0 HEADRP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000767330747 1079808108 /nfs/dbraw/zinc/80/81/08/1079808108.db2.gz IJPNBHHDKGREBW-BRQYYXMRSA-N 2 0 401.551 2.209 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[NH+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650957 1080101159 /nfs/dbraw/zinc/10/11/59/1080101159.db2.gz GEYKXWYKFROHNA-AZUAARDMSA-N 2 0 405.514 2.134 20 0 HEADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000768675170 1080710559 /nfs/dbraw/zinc/71/05/59/1080710559.db2.gz FLABWSMCNBJGNM-VAMGGRTRSA-N 2 0 412.619 2.263 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000768957524 1080882915 /nfs/dbraw/zinc/88/29/15/1080882915.db2.gz QNZFQVBFDGVVEY-VXKWHMMOSA-N 2 0 415.582 2.328 20 0 HEADRP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000769512144 1081102997 /nfs/dbraw/zinc/10/29/97/1081102997.db2.gz JJIKEQPNXCZDTK-AZUAARDMSA-N 2 0 412.619 2.264 20 0 HEADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C[NH+]1CCCC1)CCC2 ZINC001164815110 720245823 /nfs/dbraw/zinc/24/58/23/720245823.db2.gz AMUTYLXPVKNMMS-UHFFFAOYSA-N 2 0 410.566 2.485 20 0 HEADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1 ZINC001164817361 720249883 /nfs/dbraw/zinc/24/98/83/720249883.db2.gz QPIVFPKYRUARQO-IBGZPJMESA-N 2 0 424.549 2.280 20 0 HEADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001164833401 720333992 /nfs/dbraw/zinc/33/39/92/720333992.db2.gz WQFWAYICGMGMKW-RBUKOAKNSA-N 2 0 417.985 2.292 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834737 720508563 /nfs/dbraw/zinc/50/85/63/720508563.db2.gz HKDKMUGPOSUDTP-JTDSTZFVSA-N 2 0 415.973 2.350 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CCOCC4)[nH+]3)CC[C@@H]21 ZINC001164842869 720578586 /nfs/dbraw/zinc/57/85/86/720578586.db2.gz WCTNLMMWCNSCLH-ACRUOGEOSA-N 2 0 410.566 2.493 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164762490 721179450 /nfs/dbraw/zinc/17/94/50/721179450.db2.gz CJSZNAXGWSNJOI-NHCUHLMSSA-N 2 0 410.566 2.248 20 0 HEADRP CCN1C(=O)[C@]2(CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]32)N=C1C ZINC001164872626 721234612 /nfs/dbraw/zinc/23/46/12/721234612.db2.gz NHRHWQAIFGJCFP-DHJUGAMNSA-N 2 0 411.550 2.420 20 0 HEADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164895453 721430180 /nfs/dbraw/zinc/43/01/80/721430180.db2.gz PEBMHEQTPDWKTI-JTSKRJEESA-N 2 0 420.001 2.146 20 0 HEADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2CC[NH2+]CC3)CC1 ZINC001165017969 721837798 /nfs/dbraw/zinc/83/77/98/721837798.db2.gz UDFHVKHJMAYOJX-UHFFFAOYSA-N 2 0 411.550 2.283 20 0 HEADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@@H]3C2)c1 ZINC001164984589 722133166 /nfs/dbraw/zinc/13/31/66/722133166.db2.gz XJCSHWTVYXMBNM-RTWAWAEBSA-N 2 0 409.534 2.041 20 0 HEADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3C2)c1 ZINC001164984590 722133247 /nfs/dbraw/zinc/13/32/47/722133247.db2.gz XJCSHWTVYXMBNM-SFTDATJTSA-N 2 0 409.534 2.041 20 0 HEADRP CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001164997920 722216908 /nfs/dbraw/zinc/21/69/08/722216908.db2.gz STXBTAJBMXOHSM-DBVUQKKJSA-N 2 0 402.539 2.063 20 0 HEADRP CC(C)[NH+]1CCN(Cc2ccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)c(F)c2)CC1 ZINC001168884266 1079068305 /nfs/dbraw/zinc/06/83/05/1079068305.db2.gz UUKISTNHWTZATN-UHFFFAOYSA-N 2 0 409.513 2.453 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CO1 ZINC001169313125 1079225435 /nfs/dbraw/zinc/22/54/35/1079225435.db2.gz KREHGBKYAOXFIN-ROUUACIJSA-N 2 0 413.559 2.020 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)CO1 ZINC001169387713 1079258032 /nfs/dbraw/zinc/25/80/32/1079258032.db2.gz OJASOQMEFONFHB-NSHGMRRFSA-N 2 0 406.523 2.446 20 0 HEADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000771357289 1079303011 /nfs/dbraw/zinc/30/30/11/1079303011.db2.gz GSDGMGMLMWEOPH-UHFFFAOYSA-N 2 0 405.587 2.127 20 0 HEADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001169554152 1079330434 /nfs/dbraw/zinc/33/04/34/1079330434.db2.gz HWWRVTXIWHYIFR-CNNODRBYSA-N 2 0 413.603 2.475 20 0 HEADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000739035403 1076032258 /nfs/dbraw/zinc/03/22/58/1076032258.db2.gz OENPIPDYBPPBSS-KRWDZBQOSA-N 2 0 409.962 2.324 20 0 HEADRP Cn1cc(-c2cccc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2)cn1 ZINC000741681783 1076584481 /nfs/dbraw/zinc/58/44/81/1076584481.db2.gz FSUNXWYSLNNXBQ-UHFFFAOYSA-N 2 0 404.518 2.424 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2)CC1 ZINC000743079261 1076946429 /nfs/dbraw/zinc/94/64/29/1076946429.db2.gz QDAWQMVPBXCDJX-OAQYLSRUSA-N 2 0 403.571 2.403 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000743147994 1076977250 /nfs/dbraw/zinc/97/72/50/1076977250.db2.gz WHYXSEKORFABHK-IBGZPJMESA-N 2 0 405.543 2.200 20 0 HEADRP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000743942973 1077237971 /nfs/dbraw/zinc/23/79/71/1077237971.db2.gz PRRFZRBCVJVKHM-UHFFFAOYSA-N 2 0 415.582 2.005 20 0 HEADRP CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000745023214 1077708436 /nfs/dbraw/zinc/70/84/36/1077708436.db2.gz ZELNPYDFIQLKSO-FQEVSTJZSA-N 2 0 401.551 2.431 20 0 HEADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363264 1079830404 /nfs/dbraw/zinc/83/04/04/1079830404.db2.gz JARATYHBGGHWJW-RBUKOAKNSA-N 2 0 408.587 2.262 20 0 HEADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000785519603 1080032897 /nfs/dbraw/zinc/03/28/97/1080032897.db2.gz HJQCBYUGPLNKJX-DEOSSOPVSA-N 2 0 414.594 2.253 20 0 HEADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000787193185 1081057854 /nfs/dbraw/zinc/05/78/54/1081057854.db2.gz PGPSQWKEOVAZDO-UHFFFAOYSA-N 2 0 414.594 2.143 20 0 HEADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164433478 718971751 /nfs/dbraw/zinc/97/17/51/718971751.db2.gz LQBSOVSDKWFSBY-MOPGFXCFSA-N 2 0 412.456 2.199 20 0 HEADRP C[NH+]1CCN(c2cccc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)n2)CC1 ZINC001164692525 719761507 /nfs/dbraw/zinc/76/15/07/719761507.db2.gz URBXRQSHPCLEBY-VGOFRKELSA-N 2 0 412.513 2.027 20 0 HEADRP Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(N2CCCC2)[nH+]1 ZINC001164819617 720295188 /nfs/dbraw/zinc/29/51/88/720295188.db2.gz FCWSJVAFUCBRGU-UXHICEINSA-N 2 0 412.582 2.297 20 0 HEADRP CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]21 ZINC001164828534 720424712 /nfs/dbraw/zinc/42/47/12/720424712.db2.gz WYQUJLDHELVGPW-LVCYWYKZSA-N 2 0 416.566 2.168 20 0 HEADRP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164766071 721186991 /nfs/dbraw/zinc/18/69/91/721186991.db2.gz IWMZGNGEPAWOEQ-DLBZAZTESA-N 2 0 408.506 2.431 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4OCC[C@]4(C(=O)NCC4CC4)C3)c2)CC1 ZINC001164883148 721345719 /nfs/dbraw/zinc/34/57/19/721345719.db2.gz KGLMBGFQUAXCDF-OFNKIYASSA-N 2 0 414.550 2.066 20 0 HEADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164792823 721492185 /nfs/dbraw/zinc/49/21/85/721492185.db2.gz MUPKJPVAUIJUGH-UHFFFAOYSA-N 2 0 407.566 2.162 20 0 HEADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164798111 721571290 /nfs/dbraw/zinc/57/12/90/721571290.db2.gz ADVGIHNZWPQFMX-LGVFNWMJSA-N 2 0 422.577 2.272 20 0 HEADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164798109 721571496 /nfs/dbraw/zinc/57/14/96/721571496.db2.gz ADVGIHNZWPQFMX-IMSXRSKXSA-N 2 0 422.577 2.272 20 0 HEADRP [NH3+]C1CCN(c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164978101 722134776 /nfs/dbraw/zinc/13/47/76/722134776.db2.gz JVUSYVGIMWNXIJ-UNMCSNQZSA-N 3 0 422.577 2.131 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000745852596 1078670679 /nfs/dbraw/zinc/67/06/79/1078670679.db2.gz RYATXABTHJNTKZ-RTWAWAEBSA-N 2 0 415.582 2.158 20 0 HEADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000770000392 1078680347 /nfs/dbraw/zinc/68/03/47/1078680347.db2.gz CPFMCEAVOTXODR-RZUBCFFCSA-N 2 0 418.582 2.028 20 0 HEADRP C[C@@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000746146650 1078805831 /nfs/dbraw/zinc/80/58/31/1078805831.db2.gz INZFPVDNGJVXCU-OALUTQOASA-N 2 0 415.582 2.290 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745813996 1078927746 /nfs/dbraw/zinc/92/77/46/1078927746.db2.gz HUNOUOUCTSRXHS-ZWKOTPCHSA-N 2 0 411.591 2.053 20 0 HEADRP C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766534042 1079070558 /nfs/dbraw/zinc/07/05/58/1079070558.db2.gz GMEOVBHRQHEEMJ-WBVHZDCISA-N 2 0 417.666 2.416 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C1)C2 ZINC001170020681 1079110326 /nfs/dbraw/zinc/11/03/26/1079110326.db2.gz QURJZUOWEWUUAE-JCECYMMASA-N 2 0 424.611 2.112 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107415 1079157895 /nfs/dbraw/zinc/15/78/95/1079157895.db2.gz GEFWOUVVUVMMQF-WBDAEOGXSA-N 2 0 406.567 2.468 20 0 HEADRP CC1(C)C[C@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169142267 1079164459 /nfs/dbraw/zinc/16/44/59/1079164459.db2.gz MEFIKURIHNZOQM-OXJNMPFZSA-N 2 0 409.600 2.119 20 0 HEADRP CC[NH+]1CCC(n2cncc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001169244131 1079210275 /nfs/dbraw/zinc/21/02/75/1079210275.db2.gz CJXHZQUNMJAGQC-FQEVSTJZSA-N 2 0 423.517 2.463 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)CO1 ZINC001169387712 1079258199 /nfs/dbraw/zinc/25/81/99/1079258199.db2.gz OJASOQMEFONFHB-HBFSDRIKSA-N 2 0 406.523 2.446 20 0 HEADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000766799621 1079387355 /nfs/dbraw/zinc/38/73/55/1079387355.db2.gz COKDHUQZNQTBKR-QFIPXVFZSA-N 2 0 424.630 2.410 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739085742 1076041786 /nfs/dbraw/zinc/04/17/86/1076041786.db2.gz IFUUNKXNHMJONR-OAQYLSRUSA-N 2 0 415.582 2.004 20 0 HEADRP COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000741805022 1076644049 /nfs/dbraw/zinc/64/40/49/1076644049.db2.gz FSHLZVLBSFUOQB-FQEVSTJZSA-N 2 0 421.582 2.153 20 0 HEADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000743593169 1077071354 /nfs/dbraw/zinc/07/13/54/1077071354.db2.gz ATNGQUWANOPCTN-BHIFYINESA-N 2 0 400.567 2.403 20 0 HEADRP Cc1cc([C@@](C)(O)CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000743576062 1077071655 /nfs/dbraw/zinc/07/16/55/1077071655.db2.gz RGHUKCAHEZHKNB-QFIPXVFZSA-N 2 0 415.538 2.010 20 0 HEADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000767000839 1079600573 /nfs/dbraw/zinc/60/05/73/1079600573.db2.gz HWMLETKSXOSMOZ-UHFFFAOYSA-N 2 0 400.567 2.483 20 0 HEADRP COc1ccc(COCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C3)cc1 ZINC001109304185 1080587316 /nfs/dbraw/zinc/58/73/16/1080587316.db2.gz NYPWACOHTAJPGE-QOVBHOHNSA-N 2 0 401.551 2.274 20 0 HEADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000769504593 1081099557 /nfs/dbraw/zinc/09/95/57/1081099557.db2.gz GXTCFVVSNBUQTF-OKZBNKHCSA-N 2 0 414.472 2.471 20 0 HEADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000769514902 1081104277 /nfs/dbraw/zinc/10/42/77/1081104277.db2.gz CDRLEIZYXTULMH-GGPKGHCWSA-N 2 0 410.603 2.159 20 0 HEADRP CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3C[NH2+]CC4)CC2)CC1 ZINC001164614342 719021544 /nfs/dbraw/zinc/02/15/44/719021544.db2.gz FAMNBMJCFTYLDF-UHFFFAOYSA-N 2 0 407.946 2.020 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)c2)CC1 ZINC001164633406 719266764 /nfs/dbraw/zinc/26/67/64/719266764.db2.gz CNQIZNCIAIUBGW-UHFFFAOYSA-N 2 0 421.505 2.317 20 0 HEADRP Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(N2CCCC2)[nH+]1 ZINC001164819616 720295726 /nfs/dbraw/zinc/29/57/26/720295726.db2.gz FCWSJVAFUCBRGU-PMACEKPBSA-N 2 0 412.582 2.297 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)c2)CC1 ZINC001164852432 720813981 /nfs/dbraw/zinc/81/39/81/720813981.db2.gz NQUBRNVSBLIJBB-WIYYLYMNSA-N 2 0 407.518 2.044 20 0 HEADRP [NH3+]Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757166 720882796 /nfs/dbraw/zinc/88/27/96/720882796.db2.gz TXUTWICDDSGCGI-REWPJTCUSA-N 2 0 408.550 2.085 20 0 HEADRP CCOC(=O)c1c[nH]c2cc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164766077 721188096 /nfs/dbraw/zinc/18/80/96/721188096.db2.gz IWMZGNGEPAWOEQ-IAGOWNOFSA-N 2 0 408.506 2.431 20 0 HEADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898267 721432250 /nfs/dbraw/zinc/43/22/50/721432250.db2.gz VNVRRFZHSMOBSX-LADGPHEKSA-N 2 0 413.610 2.443 20 0 HEADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905819 721543482 /nfs/dbraw/zinc/54/34/82/721543482.db2.gz IONRWWDYSQXYDR-PZJWPPBQSA-N 2 0 411.525 2.314 20 0 HEADRP FC1(F)CCN(c2ncc3c(n2)CC[NH2+]C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906271 721691664 /nfs/dbraw/zinc/69/16/64/721691664.db2.gz MXHNTAOTZLZGTK-FQEVSTJZSA-N 2 0 400.477 2.255 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001165026172 721814646 /nfs/dbraw/zinc/81/46/46/721814646.db2.gz PJFNXVUKKRWDIS-HLAWJBBLSA-N 2 0 407.566 2.018 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000745852597 1078670776 /nfs/dbraw/zinc/67/07/76/1078670776.db2.gz RYATXABTHJNTKZ-SFTDATJTSA-N 2 0 415.582 2.158 20 0 HEADRP Cc1ccc(N2CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2=O)cc1 ZINC000745857813 1078675363 /nfs/dbraw/zinc/67/53/63/1078675363.db2.gz JTNOVYUSLXGJSA-HXUWFJFHSA-N 2 0 403.571 2.015 20 0 HEADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000746133713 1078801733 /nfs/dbraw/zinc/80/17/33/1078801733.db2.gz JQHMCEQPWKIJTE-UHFFFAOYSA-N 2 0 409.578 2.227 20 0 HEADRP C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000746146657 1078805858 /nfs/dbraw/zinc/80/58/58/1078805858.db2.gz INZFPVDNGJVXCU-RTBURBONSA-N 2 0 415.582 2.290 20 0 HEADRP C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)ccn1)[NH+]1CCCCC1 ZINC000746146654 1078805895 /nfs/dbraw/zinc/80/58/95/1078805895.db2.gz INZFPVDNGJVXCU-RBUKOAKNSA-N 2 0 415.582 2.290 20 0 HEADRP C[NH+](C)CCCC1CC[NH+](CN2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2=O)CC1 ZINC000766382002 1078931098 /nfs/dbraw/zinc/93/10/98/1078931098.db2.gz ONLIVKYITDRCRQ-LJQANCHMSA-N 2 0 423.602 2.355 20 0 HEADRP C[NH+](C)CCCC1CC[NH+](CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C2=O)CC1 ZINC000766381996 1078931157 /nfs/dbraw/zinc/93/11/57/1078931157.db2.gz ONLIVKYITDRCRQ-IBGZPJMESA-N 2 0 423.602 2.355 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)CO1 ZINC001169384529 1079255506 /nfs/dbraw/zinc/25/55/06/1079255506.db2.gz FWKMGXPFFBSUQH-ACRUOGEOSA-N 2 0 417.550 2.248 20 0 HEADRP C[C@@H](CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000738986156 1076028948 /nfs/dbraw/zinc/02/89/48/1076028948.db2.gz PHJMEYSNFPSMCH-FQEVSTJZSA-N 2 0 417.598 2.333 20 0 HEADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000739070848 1076037333 /nfs/dbraw/zinc/03/73/33/1076037333.db2.gz UCDCSFUBZSEGLF-UHFFFAOYSA-N 2 0 415.582 2.005 20 0 HEADRP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[NH+]1CCCC1 ZINC000739070711 1076037341 /nfs/dbraw/zinc/03/73/41/1076037341.db2.gz RRNFCTMWXFBGNF-GOSISDBHSA-N 2 0 415.582 2.004 20 0 HEADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000741084972 1076349494 /nfs/dbraw/zinc/34/94/94/1076349494.db2.gz LCMUSQLTUGAAMX-ROUUACIJSA-N 2 0 413.607 2.157 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000743078175 1076945545 /nfs/dbraw/zinc/94/55/45/1076945545.db2.gz IMVLFXVUQUBMBO-NRFANRHFSA-N 2 0 403.571 2.187 20 0 HEADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000743080143 1076946206 /nfs/dbraw/zinc/94/62/06/1076946206.db2.gz SYNYTKCQNAHMQK-FQEVSTJZSA-N 2 0 416.614 2.224 20 0 HEADRP COC(=O)/C=C\c1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000767330750 1079808123 /nfs/dbraw/zinc/80/81/23/1079808123.db2.gz IJPNBHHDKGREBW-PBHXVAMFSA-N 2 0 401.551 2.209 20 0 HEADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363263 1079830377 /nfs/dbraw/zinc/83/03/77/1079830377.db2.gz JARATYHBGGHWJW-OALUTQOASA-N 2 0 408.587 2.262 20 0 HEADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(N2CCNC2=O)cc1 ZINC000786890255 1080870545 /nfs/dbraw/zinc/87/05/45/1080870545.db2.gz QSWXBZYRFWXOMT-AVRDEDQJSA-N 2 0 423.561 2.156 20 0 HEADRP CCOC(=O)C1CC[NH+](C2CCN(c3nccc(C4CC[NH2+]CC4)n3)CC2)CC1 ZINC001164617407 719029413 /nfs/dbraw/zinc/02/94/13/719029413.db2.gz LEANOLSAWQYUKA-UHFFFAOYSA-N 2 0 401.555 2.188 20 0 HEADRP CCOC(=O)C1CC[NH+](C2CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)CC1 ZINC001164616319 719030336 /nfs/dbraw/zinc/03/03/36/719030336.db2.gz AIVKRDGTEFYWEC-UHFFFAOYSA-N 3 0 415.582 2.253 20 0 HEADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164816954 720284696 /nfs/dbraw/zinc/28/46/96/720284696.db2.gz AFCKANBDCRCEDW-RTBURBONSA-N 2 0 400.571 2.153 20 0 HEADRP Cc1cccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778842 721328695 /nfs/dbraw/zinc/32/86/95/721328695.db2.gz ZEICATRCFWOADU-OFNKIYASSA-N 2 0 408.550 2.196 20 0 HEADRP Cc1cccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778841 721328762 /nfs/dbraw/zinc/32/87/62/721328762.db2.gz ZEICATRCFWOADU-NZQKXSOJSA-N 2 0 408.550 2.196 20 0 HEADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164895454 721430230 /nfs/dbraw/zinc/43/02/30/721430230.db2.gz PEBMHEQTPDWKTI-VGOFRKELSA-N 2 0 420.001 2.146 20 0 HEADRP c1cnc(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@H]23)c2cccc(OCC[NH+]3CCCC3)n2)nc1 ZINC001164793132 721484289 /nfs/dbraw/zinc/48/42/89/721484289.db2.gz SLAFRVIPBPOZKA-AABGKKOBSA-N 2 0 424.549 2.109 20 0 HEADRP c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2)ccn1 ZINC001164962492 722058214 /nfs/dbraw/zinc/05/82/14/722058214.db2.gz SMFHDELMCAHQGL-UHFFFAOYSA-N 2 0 422.577 2.005 20 0 HEADRP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164978097 722135219 /nfs/dbraw/zinc/13/52/19/722135219.db2.gz JVUSYVGIMWNXIJ-IRLDBZIGSA-N 3 0 422.577 2.131 20 0 HEADRP CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@H]2C1 ZINC001164997928 722216732 /nfs/dbraw/zinc/21/67/32/722216732.db2.gz STXBTAJBMXOHSM-VDGAXYAQSA-N 2 0 402.539 2.063 20 0 HEADRP C[C@H](CCN1CC[NH+](C)CC1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000769759687 1078544077 /nfs/dbraw/zinc/54/40/77/1078544077.db2.gz JEMSZXWVRYFELJ-LJQANCHMSA-N 2 0 403.640 2.141 20 0 HEADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170010380 1078553550 /nfs/dbraw/zinc/55/35/50/1078553550.db2.gz DLMDOPYOCCJEON-SJORKVTESA-N 2 0 414.616 2.219 20 0 HEADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000769921661 1078636058 /nfs/dbraw/zinc/63/60/58/1078636058.db2.gz ZUMBODCWDCXHKB-LJQANCHMSA-N 2 0 408.587 2.403 20 0 HEADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000745824115 1078664896 /nfs/dbraw/zinc/66/48/96/1078664896.db2.gz GDZRXVCLJAUCOR-OAQYLSRUSA-N 2 0 400.567 2.028 20 0 HEADRP Cc1ccc(N2CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2=O)cc1 ZINC000745878212 1078681869 /nfs/dbraw/zinc/68/18/69/1078681869.db2.gz HUQMHUPIZMWTNH-NRFANRHFSA-N 2 0 417.598 2.405 20 0 HEADRP COC(=O)C1(C)CCC([N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001168781777 1078903892 /nfs/dbraw/zinc/90/38/92/1078903892.db2.gz GGQSWUPXBNYBGL-VWDUAXENSA-N 2 0 407.599 2.369 20 0 HEADRP C[C@H]1C[C@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849872 1079061073 /nfs/dbraw/zinc/06/10/73/1079061073.db2.gz MDYDNRKLCYTSPF-HKUYNNGSSA-N 2 0 418.582 2.208 20 0 HEADRP COc1ccc(CN2CC[C@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168902417 1079070388 /nfs/dbraw/zinc/07/03/88/1079070388.db2.gz BCKWQQXMQWSGMG-HKUYNNGSSA-N 2 0 420.554 2.366 20 0 HEADRP CN(C)c1nccc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)n1 ZINC001169128641 1079147575 /nfs/dbraw/zinc/14/75/75/1079147575.db2.gz GCKBADXYOFPCED-QTDGGUCWSA-N 2 0 414.598 2.087 20 0 HEADRP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)CO1 ZINC001169391982 1079262250 /nfs/dbraw/zinc/26/22/50/1079262250.db2.gz MJHIEZPQUWHMAF-NHCUHLMSSA-N 2 0 417.550 2.107 20 0 HEADRP CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)CC1 ZINC001169694771 1079375128 /nfs/dbraw/zinc/37/51/28/1079375128.db2.gz SOWBRYABHRPUPQ-CGXNFDGLSA-N 2 0 418.586 2.462 20 0 HEADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170028823 1079385415 /nfs/dbraw/zinc/38/54/15/1079385415.db2.gz DUXCQFIRPSBSHR-ROUUACIJSA-N 2 0 420.579 2.146 20 0 HEADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000739089837 1076043017 /nfs/dbraw/zinc/04/30/17/1076043017.db2.gz PYWCOARBVHPMCQ-UHFFFAOYSA-N 2 0 415.582 2.004 20 0 HEADRP CC(C)CNC(=O)C1CC[NH+](CCC[NH+]2CCC(C(=O)NCC(C)C)CC2)CC1 ZINC000740874607 1076277337 /nfs/dbraw/zinc/27/73/37/1076277337.db2.gz TXHYSPNIOADYKC-UHFFFAOYSA-N 2 0 408.631 2.345 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CNC(=O)OC)cc1 ZINC000743159889 1076978843 /nfs/dbraw/zinc/97/88/43/1076978843.db2.gz HLFPWZIFDNMWAD-LJQANCHMSA-N 2 0 405.543 2.422 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CNC(=O)OC)cc1 ZINC000743159888 1076979077 /nfs/dbraw/zinc/97/90/77/1076979077.db2.gz HLFPWZIFDNMWAD-IBGZPJMESA-N 2 0 405.543 2.422 20 0 HEADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000743593170 1077071312 /nfs/dbraw/zinc/07/13/12/1077071312.db2.gz ATNGQUWANOPCTN-FSSWDIPSSA-N 2 0 400.567 2.403 20 0 HEADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000743932214 1077257998 /nfs/dbraw/zinc/25/79/98/1077257998.db2.gz UYQGTOMRDNCRGM-YLJYHZDGSA-N 2 0 415.582 2.002 20 0 HEADRP CC1CC[NH+](CCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000785519620 1080032847 /nfs/dbraw/zinc/03/28/47/1080032847.db2.gz HQXRFPRLQUPLIG-UHFFFAOYSA-N 2 0 406.615 2.386 20 0 HEADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)c2)CC1 ZINC000768037054 1080279461 /nfs/dbraw/zinc/27/94/61/1080279461.db2.gz QJQYSKBYBCWAQU-LJQANCHMSA-N 2 0 415.582 2.146 20 0 HEADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000768718153 1080733077 /nfs/dbraw/zinc/73/30/77/1080733077.db2.gz WAIIJJRUGKRMMO-IBGZPJMESA-N 2 0 416.566 2.480 20 0 HEADRP C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000768718155 1080733249 /nfs/dbraw/zinc/73/32/49/1080733249.db2.gz WAIIJJRUGKRMMO-LJQANCHMSA-N 2 0 416.566 2.480 20 0 HEADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164431978 718970895 /nfs/dbraw/zinc/97/08/95/718970895.db2.gz DDLNQSCUFHKAHF-OALUTQOASA-N 2 0 412.456 2.199 20 0 HEADRP Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc(N2CCCC2)[nH+]1 ZINC001164811357 720213538 /nfs/dbraw/zinc/21/35/38/720213538.db2.gz GLVPWYCIDJBWAP-UHFFFAOYSA-N 2 0 411.554 2.192 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839557 720565474 /nfs/dbraw/zinc/56/54/74/720565474.db2.gz QMRVPSRSVSAULE-FDFHNCONSA-N 2 0 423.609 2.408 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CCOCC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842873 720579405 /nfs/dbraw/zinc/57/94/05/720579405.db2.gz WCTNLMMWCNSCLH-QHAWAJNXSA-N 2 0 410.566 2.493 20 0 HEADRP C[C@@H]1CCCN1C(=O)c1nn(-c2cc(OC3CC[NH+](C)CC3)ccn2)c2c1C[NH2+]CC2 ZINC001164851977 720806329 /nfs/dbraw/zinc/80/63/29/720806329.db2.gz MDBBTIMQMCAWBX-MRXNPFEDSA-N 2 0 424.549 2.011 20 0 HEADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164748250 720808311 /nfs/dbraw/zinc/80/83/11/720808311.db2.gz QCLMEDCZCQLHRB-NJDAHSKKSA-N 2 0 422.581 2.356 20 0 HEADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898273 721433166 /nfs/dbraw/zinc/43/31/66/721433166.db2.gz VNVRRFZHSMOBSX-VWNXMTODSA-N 2 0 413.610 2.443 20 0 HEADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164789435 721452850 /nfs/dbraw/zinc/45/28/50/721452850.db2.gz WEAHWYKUFMMILU-NRFANRHFSA-N 2 0 414.594 2.461 20 0 HEADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164899646 721517764 /nfs/dbraw/zinc/51/77/64/721517764.db2.gz LLDKKVALOYPQLT-GOEBONIOSA-N 2 0 403.889 2.257 20 0 HEADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[N@@H+]3C2)c1 ZINC001164899652 721517906 /nfs/dbraw/zinc/51/79/06/721517906.db2.gz LLDKKVALOYPQLT-ZBFHGGJFSA-N 2 0 403.889 2.257 20 0 HEADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905820 721542797 /nfs/dbraw/zinc/54/27/97/721542797.db2.gz IONRWWDYSQXYDR-TZIWHRDSSA-N 2 0 411.525 2.314 20 0 HEADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164911029 721555357 /nfs/dbraw/zinc/55/53/57/721555357.db2.gz YCJXIHUWDQHFML-YLJYHZDGSA-N 2 0 413.497 2.088 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(CCN(c5cncnc5)C4=O)C3)c2)CC1 ZINC001165024299 721785513 /nfs/dbraw/zinc/78/55/13/721785513.db2.gz VORYDZNGALXQBD-QHCPKHFHSA-N 2 0 422.533 2.368 20 0 HEADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cncc(N5CC[NH2+]CC5)n4)CC3)C2)cc1 ZINC001164938894 721927033 /nfs/dbraw/zinc/92/70/33/721927033.db2.gz ACIMMAXIWSSNRN-UHFFFAOYSA-N 2 0 422.577 2.066 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000745852595 1078670122 /nfs/dbraw/zinc/67/01/22/1078670122.db2.gz RYATXABTHJNTKZ-NHCUHLMSSA-N 2 0 415.582 2.158 20 0 HEADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804279953 1079000532 /nfs/dbraw/zinc/00/05/32/1079000532.db2.gz VLHRMOUSYMENCR-QHCPKHFHSA-N 2 0 422.573 2.345 20 0 HEADRP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831686 1079048461 /nfs/dbraw/zinc/04/84/61/1079048461.db2.gz XGWYPXBHFMENLE-ROUUACIJSA-N 2 0 408.587 2.451 20 0 HEADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170022007 1079158333 /nfs/dbraw/zinc/15/83/33/1079158333.db2.gz LJPVROFADWWECR-HOTGVXAUSA-N 2 0 414.616 2.075 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)CO1 ZINC001169384531 1079255694 /nfs/dbraw/zinc/25/56/94/1079255694.db2.gz FWKMGXPFFBSUQH-HKBOAZHASA-N 2 0 417.550 2.248 20 0 HEADRP CCOC(=O)C1=C(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)NC(=O)N[C@H]1C ZINC000771451927 1079329443 /nfs/dbraw/zinc/32/94/43/1079329443.db2.gz HOGPWSVFMOIORD-INIZCTEOSA-N 2 0 415.538 2.138 20 0 HEADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605605 1079343096 /nfs/dbraw/zinc/34/30/96/1079343096.db2.gz LCQWWGWHGFZKCI-FCHUYYIVSA-N 2 0 400.567 2.395 20 0 HEADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000771474658 1079351891 /nfs/dbraw/zinc/35/18/91/1079351891.db2.gz AWEUYRQMHVVFRA-UHFFFAOYSA-N 2 0 408.587 2.121 20 0 HEADRP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)CC1 ZINC001169694158 1079374398 /nfs/dbraw/zinc/37/43/98/1079374398.db2.gz OTILTFBNWGHXEP-LJQANCHMSA-N 2 0 408.587 2.262 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000738515889 1075999379 /nfs/dbraw/zinc/99/93/79/1075999379.db2.gz CNFYSWKPFVRAQM-SFTDATJTSA-N 2 0 400.567 2.039 20 0 HEADRP C[C@H](CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000738986158 1076028974 /nfs/dbraw/zinc/02/89/74/1076028974.db2.gz PHJMEYSNFPSMCH-HXUWFJFHSA-N 2 0 417.598 2.333 20 0 HEADRP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000739064144 1076034235 /nfs/dbraw/zinc/03/42/35/1076034235.db2.gz ABCQPRLFZSKKQS-UHFFFAOYSA-N 2 0 415.582 2.004 20 0 HEADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000741084973 1076349395 /nfs/dbraw/zinc/34/93/95/1076349395.db2.gz LCMUSQLTUGAAMX-ZWKOTPCHSA-N 2 0 413.607 2.157 20 0 HEADRP C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCC[C@@H](C(=O)N3CCC34CC[NH+](C)CC4)C2)CC1 ZINC000742185231 1076775955 /nfs/dbraw/zinc/77/59/55/1076775955.db2.gz HBDHUKCAWHKJIE-WOJBJXKFSA-N 2 0 416.610 2.186 20 0 HEADRP C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c2)CC1 ZINC000742243558 1076804477 /nfs/dbraw/zinc/80/44/77/1076804477.db2.gz KUHNCRVKUSIJCL-UHFFFAOYSA-N 2 0 407.562 2.438 20 0 HEADRP CC[NH+]1CCC(CC[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000742376862 1076835066 /nfs/dbraw/zinc/83/50/66/1076835066.db2.gz BEOPJBIGIGHCQR-MRXNPFEDSA-N 2 0 402.992 2.416 20 0 HEADRP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000743919307 1077241327 /nfs/dbraw/zinc/24/13/27/1077241327.db2.gz FLUPDQXQRXXBSO-UHFFFAOYSA-N 2 0 415.582 2.148 20 0 HEADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363261 1079830323 /nfs/dbraw/zinc/83/03/23/1079830323.db2.gz JARATYHBGGHWJW-MOPGFXCFSA-N 2 0 408.587 2.262 20 0 HEADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000772497536 1079885213 /nfs/dbraw/zinc/88/52/13/1079885213.db2.gz VBDKHZVFJVAUNU-OAQYLSRUSA-N 2 0 401.555 2.241 20 0 HEADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786833883 1080828843 /nfs/dbraw/zinc/82/88/43/1080828843.db2.gz CRJNWQHKROYIER-QGZVFWFLSA-N 2 0 415.582 2.494 20 0 HEADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000787142562 1081026140 /nfs/dbraw/zinc/02/61/40/1081026140.db2.gz BBNGIOCFLIQWGK-LJQANCHMSA-N 2 0 400.567 2.066 20 0 HEADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000769533797 1081113417 /nfs/dbraw/zinc/11/34/17/1081113417.db2.gz QAWJDMQHIQSRJJ-LJQANCHMSA-N 2 0 408.587 2.262 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H](N4CCCC4=O)[C@@H]4OCCC[C@H]4C3)c2)CC1 ZINC001164647480 719305353 /nfs/dbraw/zinc/30/53/53/719305353.db2.gz MJIJMPBQYHSJHA-XTQVGHSUSA-N 2 0 414.550 2.161 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)c2)CC1 ZINC001164678691 719544696 /nfs/dbraw/zinc/54/46/96/719544696.db2.gz MLIKQCUBGWVXTD-QMMLZNLJSA-N 2 0 414.550 2.161 20 0 HEADRP C[NH+]1CCN(c2cccc(N(c3ncccc3F)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)n2)CC1 ZINC001164692526 719761150 /nfs/dbraw/zinc/76/11/50/719761150.db2.gz URBXRQSHPCLEBY-VGSWGCGISA-N 2 0 412.513 2.027 20 0 HEADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742704 720807935 /nfs/dbraw/zinc/80/79/35/720807935.db2.gz DBVZOLRNIKPAAB-VAMGGRTRSA-N 2 0 410.570 2.212 20 0 HEADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742701 720808268 /nfs/dbraw/zinc/80/82/68/720808268.db2.gz DBVZOLRNIKPAAB-HSALFYBXSA-N 2 0 410.570 2.212 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164766723 721241751 /nfs/dbraw/zinc/24/17/51/721241751.db2.gz VIGCHDIDCLBXEV-RTWAWAEBSA-N 2 0 410.566 2.152 20 0 HEADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898265 721432718 /nfs/dbraw/zinc/43/27/18/721432718.db2.gz VNVRRFZHSMOBSX-ISKFKSNPSA-N 2 0 413.610 2.443 20 0 HEADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[N@@H+]3C2)c1 ZINC001164896826 721510487 /nfs/dbraw/zinc/51/04/87/721510487.db2.gz BNNLAWPZOVWMPT-GOEBONIOSA-N 2 0 403.889 2.257 20 0 HEADRP FC1(F)CCN(c2ncc3c(n2)CC[NH2+]C3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906272 721691423 /nfs/dbraw/zinc/69/14/23/721691423.db2.gz MXHNTAOTZLZGTK-HXUWFJFHSA-N 2 0 400.477 2.255 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165022195 721804692 /nfs/dbraw/zinc/80/46/92/721804692.db2.gz IGSMUJFMTQJJQU-CEWLAPEOSA-N 2 0 407.566 2.018 20 0 HEADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164981803 722132272 /nfs/dbraw/zinc/13/22/72/722132272.db2.gz QMBKNQQKRCDILS-RBBKRZOGSA-N 2 0 408.550 2.066 20 0 HEADRP Cc1cccc(N2CC[NH+](CCC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000746258540 1078834805 /nfs/dbraw/zinc/83/48/05/1078834805.db2.gz LYTVRRTVIRDTIH-HSZRJFAPSA-N 2 0 414.594 2.267 20 0 HEADRP CN(C)C(=O)CN1CC[C@]2(C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]2c2ccccc2)C1=O ZINC001169131627 1079151371 /nfs/dbraw/zinc/15/13/71/1079151371.db2.gz WOHSEQHMLRKVNC-WUDUDLAESA-N 2 0 424.589 2.018 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)CO1 ZINC001169387711 1079258283 /nfs/dbraw/zinc/25/82/83/1079258283.db2.gz OJASOQMEFONFHB-GGPKGHCWSA-N 2 0 406.523 2.446 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)CO1 ZINC001169392332 1079262636 /nfs/dbraw/zinc/26/26/36/1079262636.db2.gz PTLRBKXCZMFGET-RTWAWAEBSA-N 2 0 417.550 2.107 20 0 HEADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741807034 1076633851 /nfs/dbraw/zinc/63/38/51/1076633851.db2.gz UBLMQGIDKIBBGK-HXUWFJFHSA-N 2 0 416.566 2.428 20 0 HEADRP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000743920169 1077243090 /nfs/dbraw/zinc/24/30/90/1077243090.db2.gz UFLVCQRXSVMUNO-UHFFFAOYSA-N 2 0 415.582 2.148 20 0 HEADRP COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000744426064 1077388459 /nfs/dbraw/zinc/38/84/59/1077388459.db2.gz OGMIGWVZYXXNRA-UOIFGXKSSA-N 2 0 417.575 2.420 20 0 HEADRP CC[NH+](CC)CC1CC[NH+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)CC1 ZINC000744433428 1077393101 /nfs/dbraw/zinc/39/31/01/1077393101.db2.gz BSKCMYOISNHYNO-UHFFFAOYSA-N 2 0 408.587 2.467 20 0 HEADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000767690561 1080041904 /nfs/dbraw/zinc/04/19/04/1080041904.db2.gz RDMSFONNRLWVJH-FCHUYYIVSA-N 2 0 416.635 2.493 20 0 HEADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786815680 1080841487 /nfs/dbraw/zinc/84/14/87/1080841487.db2.gz HKBDEQGAOSIQJW-IBGZPJMESA-N 2 0 408.550 2.474 20 0 HEADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000769518510 1081105604 /nfs/dbraw/zinc/10/56/04/1081105604.db2.gz GGUOJIKLDCNFSO-HBFSDRIKSA-N 2 0 411.587 2.491 20 0 HEADRP c1ccc(C[N@@H+]2CCc3nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)ccc3C2)cc1 ZINC001164422832 718913875 /nfs/dbraw/zinc/91/38/75/718913875.db2.gz BMSPDNAKTRMXCX-DEOSSOPVSA-N 2 0 408.546 2.225 20 0 HEADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C[NH3+])ncn3)CC2)c2ccccc21 ZINC001164683523 719663663 /nfs/dbraw/zinc/66/36/63/719663663.db2.gz VSEVZINIXCINQA-SFHVURJKSA-N 2 0 422.577 2.029 20 0 HEADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1 ZINC001164817362 720249621 /nfs/dbraw/zinc/24/96/21/720249621.db2.gz QPIVFPKYRUARQO-LJQANCHMSA-N 2 0 424.549 2.280 20 0 HEADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001164833402 720333803 /nfs/dbraw/zinc/33/38/03/720333803.db2.gz WQFWAYICGMGMKW-RTBURBONSA-N 2 0 417.985 2.292 20 0 HEADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001164833399 720333956 /nfs/dbraw/zinc/33/39/56/720333956.db2.gz WQFWAYICGMGMKW-MOPGFXCFSA-N 2 0 417.985 2.292 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@@H]21 ZINC001164834736 720508143 /nfs/dbraw/zinc/50/81/43/720508143.db2.gz HKDKMUGPOSUDTP-GJYPPUQNSA-N 2 0 415.973 2.350 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CCOCC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842871 720581259 /nfs/dbraw/zinc/58/12/59/720581259.db2.gz WCTNLMMWCNSCLH-PCCBWWKXSA-N 2 0 410.566 2.493 20 0 HEADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@@H+]3C2)c1 ZINC001164866787 721188647 /nfs/dbraw/zinc/18/86/47/721188647.db2.gz DBRKKFBHWHIMKI-FYYLOGMGSA-N 2 0 423.561 2.335 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164766729 721241694 /nfs/dbraw/zinc/24/16/94/721241694.db2.gz VIGCHDIDCLBXEV-SFTDATJTSA-N 2 0 410.566 2.152 20 0 HEADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[NH2+]C4)C2)C1 ZINC001164775785 721336847 /nfs/dbraw/zinc/33/68/47/721336847.db2.gz AFCTWRWJZFLSPS-QHCPKHFHSA-N 2 0 411.550 2.451 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C[C@H]4C(=O)NCc4cccnc4)C3)c2)CC1 ZINC001164961554 722035120 /nfs/dbraw/zinc/03/51/20/722035120.db2.gz WIIXRPJLIGMREY-URXFXBBRSA-N 2 0 421.545 2.482 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000745817810 1078659940 /nfs/dbraw/zinc/65/99/40/1078659940.db2.gz XRBISZQUISUKHM-IBGZPJMESA-N 2 0 411.591 2.053 20 0 HEADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000769996189 1078678855 /nfs/dbraw/zinc/67/88/55/1078678855.db2.gz TUHVJPSSTMHBTE-HUUCEWRRSA-N 2 0 419.538 2.368 20 0 HEADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000770000386 1078680372 /nfs/dbraw/zinc/68/03/72/1078680372.db2.gz CPFMCEAVOTXODR-KCZVDYSFSA-N 2 0 418.582 2.028 20 0 HEADRP C[NH+]1CCC(C)(CNC(=O)CCC(C)(C)C(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000509453731 1078891868 /nfs/dbraw/zinc/89/18/68/1078891868.db2.gz VKCXVZPNAXCCPQ-UHFFFAOYSA-N 2 0 408.631 2.489 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745813994 1078927689 /nfs/dbraw/zinc/92/76/89/1078927689.db2.gz HUNOUOUCTSRXHS-ROUUACIJSA-N 2 0 411.591 2.053 20 0 HEADRP COc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1S(=O)(=O)C(F)F ZINC000766457554 1079010742 /nfs/dbraw/zinc/01/07/42/1079010742.db2.gz KXIVARNTJGPTTF-CQSZACIVSA-N 2 0 419.538 2.368 20 0 HEADRP C[C@H]1C[C@@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849875 1079061517 /nfs/dbraw/zinc/06/15/17/1079061517.db2.gz MDYDNRKLCYTSPF-PKOBYXMFSA-N 2 0 418.582 2.208 20 0 HEADRP CN(CC[N@H+](C)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C1CC[NH+](C)CC1 ZINC001168894482 1079063932 /nfs/dbraw/zinc/06/39/32/1079063932.db2.gz QWMCOTBYFZAFNB-OFNKIYASSA-N 2 0 424.630 2.360 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)cc2)CC1 ZINC000771097981 1079150851 /nfs/dbraw/zinc/15/08/51/1079150851.db2.gz UKBGYFVFJKKBAT-UHFFFAOYSA-N 2 0 416.614 2.366 20 0 HEADRP [NH3+]Cc1ccc2nnn(-c3cc(N4CCC[C@@H]([NH3+])C4)nc(Oc4ccccc4)n3)c2c1 ZINC001170021894 1079157148 /nfs/dbraw/zinc/15/71/48/1079157148.db2.gz GLNSYZYKRUBBGI-MRXNPFEDSA-N 2 0 416.489 2.389 20 0 HEADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169172545 1079187355 /nfs/dbraw/zinc/18/73/55/1079187355.db2.gz QARFMBWQRRQBLT-ZWKOTPCHSA-N 2 0 420.602 2.093 20 0 HEADRP CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@H](CO)C2)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169563188 1079332037 /nfs/dbraw/zinc/33/20/37/1079332037.db2.gz VLZWRUUYOSCNNS-DLBZAZTESA-N 2 0 403.571 2.434 20 0 HEADRP CCOC(=O)N1CCC[C@@H]([N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001169695176 1079375792 /nfs/dbraw/zinc/37/57/92/1079375792.db2.gz UINMRMDXZLTQEG-GOSISDBHSA-N 2 0 407.559 2.178 20 0 HEADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170028822 1079385515 /nfs/dbraw/zinc/38/55/15/1079385515.db2.gz DUXCQFIRPSBSHR-MSOLQXFVSA-N 2 0 420.579 2.146 20 0 HEADRP C[N@@H+]1CCC[C@H](N2CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC2)C1 ZINC000738215382 1075974974 /nfs/dbraw/zinc/97/49/74/1075974974.db2.gz UOORFEOQPPCODB-INIZCTEOSA-N 2 0 419.367 2.433 20 0 HEADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739084028 1076041699 /nfs/dbraw/zinc/04/16/99/1076041699.db2.gz CNUPROLDQMOVAZ-GOSISDBHSA-N 2 0 417.598 2.250 20 0 HEADRP O=C(COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000741326778 1076477443 /nfs/dbraw/zinc/47/74/43/1076477443.db2.gz DLACISSMVAYVKF-GOSISDBHSA-N 2 0 417.525 2.324 20 0 HEADRP C[NH+]1CCC2(CCN2C(=O)[C@H]2CCC[C@H](C(=O)N3CCC34CC[NH+](C)CC4)C2)CC1 ZINC000742185030 1076775099 /nfs/dbraw/zinc/77/50/99/1076775099.db2.gz HBDHUKCAWHKJIE-PMACEKPBSA-N 2 0 416.610 2.186 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)COC)cc1 ZINC000743091242 1076951680 /nfs/dbraw/zinc/95/16/80/1076951680.db2.gz XNRIVZSHDZTWMP-IBGZPJMESA-N 2 0 405.543 2.151 20 0 HEADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@@H+]1C ZINC000743932212 1077258152 /nfs/dbraw/zinc/25/81/52/1077258152.db2.gz UYQGTOMRDNCRGM-PXNSSMCTSA-N 2 0 415.582 2.002 20 0 HEADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000743979645 1077292503 /nfs/dbraw/zinc/29/25/03/1077292503.db2.gz HXFWKBIFGMMPAM-GOSISDBHSA-N 2 0 415.582 2.004 20 0 HEADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000767690564 1080041682 /nfs/dbraw/zinc/04/16/82/1080041682.db2.gz RDMSFONNRLWVJH-FGZHOGPDSA-N 2 0 416.635 2.493 20 0 HEADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768215897 1080417719 /nfs/dbraw/zinc/41/77/19/1080417719.db2.gz DIZIDSVKMUJUOU-IFMALSPDSA-N 2 0 418.582 2.030 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000786297281 1080542038 /nfs/dbraw/zinc/54/20/38/1080542038.db2.gz OUOOLKVNZNXCIL-LJQANCHMSA-N 2 0 416.570 2.404 20 0 HEADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769156137 1080975311 /nfs/dbraw/zinc/97/53/11/1080975311.db2.gz PZRCUYDZWVMGKA-FGZHOGPDSA-N 2 0 402.583 2.180 20 0 HEADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000769504587 1081099504 /nfs/dbraw/zinc/09/95/04/1081099504.db2.gz GXTCFVVSNBUQTF-FGTMMUONSA-N 2 0 414.472 2.471 20 0 HEADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000769518509 1081105614 /nfs/dbraw/zinc/10/56/14/1081105614.db2.gz GGUOJIKLDCNFSO-GGPKGHCWSA-N 2 0 411.587 2.491 20 0 HEADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164715725 720157371 /nfs/dbraw/zinc/15/73/71/720157371.db2.gz WHIZVPYABGMRKL-NRFANRHFSA-N 2 0 422.577 2.374 20 0 HEADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164714961 720157596 /nfs/dbraw/zinc/15/75/96/720157596.db2.gz RVUAWPQZXBGUDV-FQEVSTJZSA-N 2 0 408.550 2.066 20 0 HEADRP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(N2CCCC2)[nH+]1 ZINC001164743462 720813354 /nfs/dbraw/zinc/81/33/54/720813354.db2.gz GCECZVJZXUYKSV-PWRODBHTSA-N 2 0 422.581 2.356 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)c2)CC1 ZINC001164758370 721009842 /nfs/dbraw/zinc/00/98/42/721009842.db2.gz IFXWFTFWUMEOKU-VSKRKVRLSA-N 2 0 410.518 2.370 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879546 721177546 /nfs/dbraw/zinc/17/75/46/721177546.db2.gz TYXWDZQTWBKKRV-NFBKMPQASA-N 2 0 423.561 2.429 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164762487 721179422 /nfs/dbraw/zinc/17/94/22/721179422.db2.gz CJSZNAXGWSNJOI-LEWJYISDSA-N 2 0 410.566 2.248 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]3C2)cn1 ZINC001164759737 721232876 /nfs/dbraw/zinc/23/28/76/721232876.db2.gz BEKWYRIAMVVWJU-VQTJNVASSA-N 2 0 410.566 2.246 20 0 HEADRP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164911023 721555369 /nfs/dbraw/zinc/55/53/69/721555369.db2.gz YCJXIHUWDQHFML-FXAWDEMLSA-N 2 0 413.497 2.088 20 0 HEADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000769996190 1078678838 /nfs/dbraw/zinc/67/88/38/1078678838.db2.gz TUHVJPSSTMHBTE-LSDHHAIUSA-N 2 0 419.538 2.368 20 0 HEADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770026194 1078694088 /nfs/dbraw/zinc/69/40/88/1078694088.db2.gz IORFXDDGHHIASU-LJQANCHMSA-N 2 0 400.567 2.500 20 0 HEADRP C[C@H](CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000770172052 1078768661 /nfs/dbraw/zinc/76/86/61/1078768661.db2.gz MSJGQIUKGMFUTI-TZRRMPRUSA-N 2 0 422.658 2.138 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746099468 1078794236 /nfs/dbraw/zinc/79/42/36/1078794236.db2.gz UVEFDNKSJDIEJE-DEOSSOPVSA-N 2 0 408.546 2.404 20 0 HEADRP C[N@@H+]1CCCN(c2ccc(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000746130855 1079085659 /nfs/dbraw/zinc/08/56/59/1079085659.db2.gz FQSDYWCETJZTIL-UHFFFAOYSA-N 2 0 422.577 2.374 20 0 HEADRP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169133791 1079152621 /nfs/dbraw/zinc/15/26/21/1079152621.db2.gz KUQYEHPBHDFXQP-REPLKXPHSA-N 2 0 409.534 2.295 20 0 HEADRP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169133790 1079152765 /nfs/dbraw/zinc/15/27/65/1079152765.db2.gz KUQYEHPBHDFXQP-BWTSREIZSA-N 2 0 409.534 2.295 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107414 1079157232 /nfs/dbraw/zinc/15/72/32/1079157232.db2.gz GEFWOUVVUVMMQF-NUNAXRQHSA-N 2 0 406.567 2.468 20 0 HEADRP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CO1 ZINC001169392357 1079262326 /nfs/dbraw/zinc/26/23/26/1079262326.db2.gz PWFMWCKYOVYGHZ-RTWAWAEBSA-N 2 0 402.535 2.464 20 0 HEADRP CC(=O)N1CCC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)C1 ZINC001169596487 1079338523 /nfs/dbraw/zinc/33/85/23/1079338523.db2.gz IJHRIUPMCYFMTO-SFTDATJTSA-N 2 0 424.549 2.011 20 0 HEADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)C2=O ZINC000767503056 1079894280 /nfs/dbraw/zinc/89/42/80/1079894280.db2.gz WRRNGYIYCRETTD-OAHLLOKOSA-N 2 0 410.440 2.468 20 0 HEADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000785565694 1080080336 /nfs/dbraw/zinc/08/03/36/1080080336.db2.gz KGROLZALAOAQHD-KRWDZBQOSA-N 2 0 420.985 2.411 20 0 HEADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768199366 1080390180 /nfs/dbraw/zinc/39/01/80/1080390180.db2.gz MHKHMUKWTFHIKN-PZJWPPBQSA-N 2 0 418.582 2.028 20 0 HEADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000786335834 1080567183 /nfs/dbraw/zinc/56/71/83/1080567183.db2.gz ZKTLZQQBDHPUEH-UHFFFAOYSA-N 2 0 406.615 2.384 20 0 HEADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786815681 1080841584 /nfs/dbraw/zinc/84/15/84/1080841584.db2.gz HKBDEQGAOSIQJW-LJQANCHMSA-N 2 0 408.550 2.474 20 0 HEADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000769162466 1080980019 /nfs/dbraw/zinc/98/00/19/1080980019.db2.gz XBTZRKKFWATQDK-UHFFFAOYSA-N 2 0 405.543 2.318 20 0 HEADRP CC(C)[N@H+](C)CC1CC[NH+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)CC1 ZINC000744434769 1081067910 /nfs/dbraw/zinc/06/79/10/1081067910.db2.gz QDANZVFEQOSNCS-UHFFFAOYSA-N 2 0 408.587 2.466 20 0 HEADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C[NH3+])ncn3)CC2)c2ccccc21 ZINC001164683514 719663882 /nfs/dbraw/zinc/66/38/82/719663882.db2.gz VSEVZINIXCINQA-GOSISDBHSA-N 2 0 422.577 2.029 20 0 HEADRP C[NH+]1CCN(c2cccc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)n2)CC1 ZINC001164692523 719760590 /nfs/dbraw/zinc/76/05/90/719760590.db2.gz URBXRQSHPCLEBY-HTAPYJJXSA-N 2 0 412.513 2.027 20 0 HEADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164710377 720127938 /nfs/dbraw/zinc/12/79/38/720127938.db2.gz ABVZIHVQXXHEPE-HXUWFJFHSA-N 2 0 408.550 2.025 20 0 HEADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001164833400 720334165 /nfs/dbraw/zinc/33/41/65/720334165.db2.gz WQFWAYICGMGMKW-OALUTQOASA-N 2 0 417.985 2.292 20 0 HEADRP [NH3+]Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757165 720882954 /nfs/dbraw/zinc/88/29/54/720882954.db2.gz TXUTWICDDSGCGI-OFNKIYASSA-N 2 0 408.550 2.085 20 0 HEADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)C[NH2+]C4)C3)c1 ZINC001164757423 720889208 /nfs/dbraw/zinc/88/92/08/720889208.db2.gz UOTCAJCRKLESHT-QPPBQGQZSA-N 2 0 420.561 2.230 20 0 HEADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@@H+]3C2)c1 ZINC001164866788 721188368 /nfs/dbraw/zinc/18/83/68/721188368.db2.gz DBRKKFBHWHIMKI-GGAORHGYSA-N 2 0 423.561 2.335 20 0 HEADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]3C2)cn1 ZINC001164759736 721233701 /nfs/dbraw/zinc/23/37/01/721233701.db2.gz BEKWYRIAMVVWJU-UXHICEINSA-N 2 0 410.566 2.246 20 0 HEADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905818 721542861 /nfs/dbraw/zinc/54/28/61/721542861.db2.gz IONRWWDYSQXYDR-FPOVZHCZSA-N 2 0 411.525 2.314 20 0 HEADRP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164910293 721548248 /nfs/dbraw/zinc/54/82/48/721548248.db2.gz UCPSXWXQDSHIOC-TZIWHRDSSA-N 2 0 411.525 2.490 20 0 HEADRP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164911027 721555320 /nfs/dbraw/zinc/55/53/20/721555320.db2.gz YCJXIHUWDQHFML-XLIONFOSSA-N 2 0 413.497 2.088 20 0 HEADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001165010166 721735116 /nfs/dbraw/zinc/73/51/16/721735116.db2.gz DHSJBVQPIGDJBC-UHFFFAOYSA-N 2 0 420.989 2.120 20 0 HEADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001165026176 721814512 /nfs/dbraw/zinc/81/45/12/721814512.db2.gz PJFNXVUKKRWDIS-SESVDKBCSA-N 2 0 407.566 2.018 20 0 HEADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164981797 722132553 /nfs/dbraw/zinc/13/25/53/722132553.db2.gz QMBKNQQKRCDILS-IFMALSPDSA-N 2 0 408.550 2.066 20 0 HEADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@H]2C1 ZINC001164997923 722216814 /nfs/dbraw/zinc/21/68/14/722216814.db2.gz STXBTAJBMXOHSM-FFZOFVMBSA-N 2 0 402.539 2.063 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000746098427 1078779350 /nfs/dbraw/zinc/77/93/50/1078779350.db2.gz HIGXBESPUPVBRP-UHFFFAOYSA-N 2 0 422.577 2.374 20 0 HEADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CO[C@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093568 1079127065 /nfs/dbraw/zinc/12/70/65/1079127065.db2.gz IOBBDIMLKHETQT-QUXXCFOZSA-N 2 0 409.571 2.244 20 0 HEADRP CN(C)c1nccc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)n1 ZINC001169128643 1079147785 /nfs/dbraw/zinc/14/77/85/1079147785.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 2 0 414.598 2.087 20 0 HEADRP CC1(C)C[C@@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169142271 1079164697 /nfs/dbraw/zinc/16/46/97/1079164697.db2.gz MEFIKURIHNZOQM-UZLBHIALSA-N 2 0 409.600 2.119 20 0 HEADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000771325920 1079287883 /nfs/dbraw/zinc/28/78/83/1079287883.db2.gz XHWMUZCDFOYYJZ-HXUWFJFHSA-N 2 0 418.557 2.073 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000771359974 1079303469 /nfs/dbraw/zinc/30/34/69/1079303469.db2.gz VFFLIANFWRXZBY-QKDPSFTKSA-N 2 0 417.598 2.269 20 0 HEADRP CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@@H](CO)C2)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169563189 1079332099 /nfs/dbraw/zinc/33/20/99/1079332099.db2.gz VLZWRUUYOSCNNS-IAGOWNOFSA-N 2 0 403.571 2.434 20 0 HEADRP [NH3+]CCc1cn(-c2nccc(N3CC[NH2+]CC3)n2)c2cc(OC(F)(F)F)ccc12 ZINC001169607058 1079343712 /nfs/dbraw/zinc/34/37/12/1079343712.db2.gz NQICFHRQIGBCBM-UHFFFAOYSA-N 2 0 406.412 2.230 20 0 HEADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000739073338 1076038542 /nfs/dbraw/zinc/03/85/42/1076038542.db2.gz YVPRNXPXLZYIFH-UHFFFAOYSA-N 2 0 415.582 2.005 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@]3(CO)CCc4ccccc43)cc2)CC1 ZINC000766252785 1076160457 /nfs/dbraw/zinc/16/04/57/1076160457.db2.gz SXPQVYDZNLIRNQ-XMMPIXPASA-N 2 0 408.546 2.191 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000743078185 1076945455 /nfs/dbraw/zinc/94/54/55/1076945455.db2.gz IMVLFXVUQUBMBO-OAQYLSRUSA-N 2 0 403.571 2.187 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000743188375 1077002437 /nfs/dbraw/zinc/00/24/37/1077002437.db2.gz NUNMZRWQVBCHNC-HXUWFJFHSA-N 2 0 413.570 2.401 20 0 HEADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000743593171 1077073809 /nfs/dbraw/zinc/07/38/09/1077073809.db2.gz ATNGQUWANOPCTN-VSKRKVRLSA-N 2 0 400.567 2.403 20 0 HEADRP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000743916870 1077198113 /nfs/dbraw/zinc/19/81/13/1077198113.db2.gz GUMWSFDYXAYRDG-UHFFFAOYSA-N 2 0 415.582 2.146 20 0 HEADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768199339 1080390265 /nfs/dbraw/zinc/39/02/65/1080390265.db2.gz MHKHMUKWTFHIKN-CTNGQTDRSA-N 2 0 418.582 2.028 20 0 HEADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC(O)(c2ccccc2)CC1 ZINC000768307603 1080477205 /nfs/dbraw/zinc/47/72/05/1080477205.db2.gz PACQMZCLSPMKOO-UHFFFAOYSA-N 2 0 423.561 2.287 20 0 HEADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000786297279 1080542156 /nfs/dbraw/zinc/54/21/56/1080542156.db2.gz OUOOLKVNZNXCIL-IBGZPJMESA-N 2 0 416.570 2.404 20 0 HEADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC(CC[NH+]4CCOCC4)CC3)n2)CC1 ZINC000786676851 1080774312 /nfs/dbraw/zinc/77/43/12/1080774312.db2.gz CSRQXGNQFSUWBT-UHFFFAOYSA-N 2 0 404.559 2.116 20 0 HEADRP Cc1ccc(Br)nc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000786854525 1080852234 /nfs/dbraw/zinc/85/22/34/1080852234.db2.gz WQMIBHYDYOVUPC-UHFFFAOYSA-N 2 0 418.339 2.490 20 0 HEADRP CC(C)Oc1cc[nH+]c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164719226 720185605 /nfs/dbraw/zinc/18/56/05/720185605.db2.gz VDMQQCWRIJEWKU-IBGZPJMESA-N 2 0 400.527 2.214 20 0 HEADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164817831 720285093 /nfs/dbraw/zinc/28/50/93/720285093.db2.gz GBBIRRRQPDIMPO-VQTJNVASSA-N 2 0 412.582 2.297 20 0 HEADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164844523 720694894 /nfs/dbraw/zinc/69/48/94/720694894.db2.gz SRCRHCOXIODOGD-NRFANRHFSA-N 2 0 422.577 2.146 20 0 HEADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@@H+]3C2)c1 ZINC001164866790 721189259 /nfs/dbraw/zinc/18/92/59/721189259.db2.gz DBRKKFBHWHIMKI-JTHBVZDNSA-N 2 0 423.561 2.335 20 0 HEADRP FC1(F)CCN(c2cc3c(nn2)CC[NH2+]C3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906631 721713568 /nfs/dbraw/zinc/71/35/68/721713568.db2.gz NJIJVFJSOIYSTG-HXUWFJFHSA-N 2 0 400.477 2.255 20 0 HEADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000770000395 1078680366 /nfs/dbraw/zinc/68/03/66/1078680366.db2.gz CPFMCEAVOTXODR-SJBKTWHCSA-N 2 0 418.582 2.028 20 0 HEADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC000746130917 1078800475 /nfs/dbraw/zinc/80/04/75/1078800475.db2.gz ITKRXPHROREFJT-XMMPIXPASA-N 2 0 408.546 2.404 20 0 HEADRP CC[NH+]1CCN(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC000746208522 1078818859 /nfs/dbraw/zinc/81/88/59/1078818859.db2.gz LPNXECMYYPCESV-UHFFFAOYSA-N 2 0 415.582 2.467 20 0 HEADRP COC(=O)C1(C)CCC([N@@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)CC1 ZINC001168782844 1078968948 /nfs/dbraw/zinc/96/89/48/1078968948.db2.gz WQDQQIAOIRTRET-UHFFFAOYSA-N 2 0 419.570 2.218 20 0 HEADRP CN(CC[N@H+](C)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001168893851 1079063435 /nfs/dbraw/zinc/06/34/35/1079063435.db2.gz MQIZILWTTMQOHV-DETIRCLXSA-N 2 0 424.630 2.237 20 0 HEADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CO1 ZINC001169396738 1079268661 /nfs/dbraw/zinc/26/86/61/1079268661.db2.gz LYKNZJMPEBWBQC-ZSYZGHEHSA-N 2 0 424.582 2.077 20 0 HEADRP CCOC(=O)C1(Nc2ccccc2C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC[NH+](C)CC1 ZINC001169496119 1079314163 /nfs/dbraw/zinc/31/41/63/1079314163.db2.gz UGMNXNXRHWHAGD-QAQDUYKDSA-N 2 0 402.539 2.126 20 0 HEADRP CCOC(=O)N1CCC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)CC1 ZINC001169694769 1079375266 /nfs/dbraw/zinc/37/52/66/1079375266.db2.gz SOWBRYABHRPUPQ-ANULTFPQSA-N 2 0 418.586 2.462 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000738515886 1075998839 /nfs/dbraw/zinc/99/88/39/1075998839.db2.gz CNFYSWKPFVRAQM-LEWJYISDSA-N 2 0 400.567 2.039 20 0 HEADRP C(CC[N@@H+]1CCCN(C[C@H]2CCCO2)CC1)CN1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000740878476 1076279236 /nfs/dbraw/zinc/27/92/36/1076279236.db2.gz IAQFIMZSEPEZRX-DNQXCXABSA-N 2 0 422.658 2.140 20 0 HEADRP Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000742717219 1076873776 /nfs/dbraw/zinc/87/37/76/1076873776.db2.gz ANDGZSZTPFPFDC-IBGZPJMESA-N 2 0 412.456 2.434 20 0 HEADRP Cc1cc([C@](C)(O)CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000743576061 1077071758 /nfs/dbraw/zinc/07/17/58/1077071758.db2.gz RGHUKCAHEZHKNB-JOCHJYFZSA-N 2 0 415.538 2.010 20 0 HEADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000745362815 1077814979 /nfs/dbraw/zinc/81/49/79/1077814979.db2.gz UAMCYKWAISBEDB-OAQYLSRUSA-N 2 0 415.582 2.371 20 0 HEADRP COC(=O)/C=C/c1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000767330749 1079808138 /nfs/dbraw/zinc/80/81/38/1079808138.db2.gz IJPNBHHDKGREBW-HUOGQDQXSA-N 2 0 401.551 2.209 20 0 HEADRP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000785579917 1080085142 /nfs/dbraw/zinc/08/51/42/1080085142.db2.gz JFRPBAVCDZCBTH-IBGZPJMESA-N 2 0 400.567 2.279 20 0 HEADRP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000785579919 1080085161 /nfs/dbraw/zinc/08/51/61/1080085161.db2.gz JFRPBAVCDZCBTH-LJQANCHMSA-N 2 0 400.567 2.279 20 0 HEADRP C[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000767836707 1080157796 /nfs/dbraw/zinc/15/77/96/1080157796.db2.gz LDRRQSMYMAUKSX-FGZHOGPDSA-N 2 0 415.582 2.328 20 0 HEADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000768721306 1080737372 /nfs/dbraw/zinc/73/73/72/1080737372.db2.gz KNAWEPDJXHGROB-UHFFFAOYSA-N 2 0 410.522 2.367 20 0 HEADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000768957522 1080882975 /nfs/dbraw/zinc/88/29/75/1080882975.db2.gz QNZFQVBFDGVVEY-FCHUYYIVSA-N 2 0 415.582 2.328 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769532642 1081113329 /nfs/dbraw/zinc/11/33/29/1081113329.db2.gz RTIHNYFPZAPXEL-LMCOJAPRSA-N 2 0 411.587 2.368 20 0 HEADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769532646 1081113404 /nfs/dbraw/zinc/11/34/04/1081113404.db2.gz RTIHNYFPZAPXEL-RSPOEFSDSA-N 2 0 411.587 2.368 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)c2)CC1 ZINC001164678688 719544838 /nfs/dbraw/zinc/54/48/38/719544838.db2.gz MLIKQCUBGWVXTD-DUXKGJEZSA-N 2 0 414.550 2.161 20 0 HEADRP C[NH+]1CCN(c2cccc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)n2)CC1 ZINC001164692524 719760285 /nfs/dbraw/zinc/76/02/85/719760285.db2.gz URBXRQSHPCLEBY-JTSKRJEESA-N 2 0 412.513 2.027 20 0 HEADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4nnc(Cn5cccc5)n4CC3)c2)CC1 ZINC001164710588 720091414 /nfs/dbraw/zinc/09/14/14/720091414.db2.gz JPAUOVQQGSGSCB-UHFFFAOYSA-N 2 0 407.522 2.059 20 0 HEADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C[NH+](C)C3CC3)cn1)CCC2 ZINC001164814503 720240836 /nfs/dbraw/zinc/24/08/36/720240836.db2.gz VZOPIVQMMKXNFJ-UHFFFAOYSA-N 2 0 410.566 2.483 20 0 HEADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@@H]21 ZINC001164834735 720508414 /nfs/dbraw/zinc/50/84/14/720508414.db2.gz HKDKMUGPOSUDTP-BXWFABGCSA-N 2 0 415.973 2.350 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836521 720517970 /nfs/dbraw/zinc/51/79/70/720517970.db2.gz MVWNZFXOKNFVQK-JTDSTZFVSA-N 2 0 415.973 2.350 20 0 HEADRP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839555 720566896 /nfs/dbraw/zinc/56/68/96/720566896.db2.gz QMRVPSRSVSAULE-BHIFYINESA-N 2 0 423.609 2.408 20 0 HEADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164844524 720695341 /nfs/dbraw/zinc/69/53/41/720695341.db2.gz SRCRHCOXIODOGD-OAQYLSRUSA-N 2 0 422.577 2.146 20 0 HEADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896762 721439579 /nfs/dbraw/zinc/43/95/79/721439579.db2.gz RZBLRZMJTJAQDQ-ISKFKSNPSA-N 2 0 413.610 2.441 20 0 HEADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164789437 721452555 /nfs/dbraw/zinc/45/25/55/721452555.db2.gz WEAHWYKUFMMILU-OAQYLSRUSA-N 2 0 414.594 2.461 20 0 HEADRP C[NH+]1CCC(Oc2ccnc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)c2)CC1 ZINC001164790162 721484670 /nfs/dbraw/zinc/48/46/70/721484670.db2.gz DBFXNGGEPNCKPF-WMQCIHAUSA-N 2 0 424.549 2.107 20 0 HEADRP C[NH+](C)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC001165036496 721893988 /nfs/dbraw/zinc/89/39/88/721893988.db2.gz RVNZSZMCNWEHHZ-ROUUACIJSA-N 2 0 417.598 2.411 20 0 HEADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3C2)c1 ZINC001164984587 722133116 /nfs/dbraw/zinc/13/31/16/722133116.db2.gz XJCSHWTVYXMBNM-LEWJYISDSA-N 2 0 409.534 2.041 20 0 HEADRP